(10R)-14-(2,2-dimethylpropyl)-12-[2-[4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-2-oxoethyl]-4,5,14-triazatetracyclo[7.6.0.02,6.010,12]pentadeca-1(9),2(6),3,7-tetraen-13-one

C32H37FN6O3 — CID 143577147

IUPAC(10R)-14-(2,2-dimethylpropyl)-12-[2-[4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-2-oxoethyl]-4,5,14-triazatetracyclo[7.6.0.02,6.010,12]pentadeca-1(9),2(6),3,7-tetraen-13-one
SMILESCC(C)(C)CN1Cc2c(ccc3[nH]ncc23)[C@H]2CC2(CC(=O)N2CCC(N3Cc4cccc(F)c4NC3=O)CC2)C1=O
InChIInChI=1S/C32H37FN6O3/c1-31(2,3)18-38-17-23-21(7-8-26-22(23)15-34-36-26)24-13-32(24,29(38)41)14-27(40)37-11-9-20(10-12-37)39-16-19-5-4-6-25(33)28(19)35-30(39)42/h4-8,15,20,24H,9-14,16-18H2,1-3H3,(H,34,36)(H,35,42)/t24-,32?/m1/s1
InChIKeyBEKONTHMOFIATG-IFIVVKAWSA-N
MW572.69 g/mol
LogP4.99
Rot. Bonds4

About (10R)-14-(2,2-dimethylpropyl)-12-[2-[4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-2-oxoethyl]-4,5,14-triazatetracyclo[7.6.0.02,6.010,12]pentadeca-1(9),2(6),3,7-tetraen-13-one

(10R)-14-(2,2-dimethylpropyl)-12-[2-[4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-2-oxoethyl]-4,5,14-triazatetracyclo[7.6.0.02,6.010,12]pentadeca-1(9),2(6),3,7-tetraen-13-one (PubChem CID 143577147) has the molecular formula C32H37FN6O3 and a molecular weight of 572.69 g/mol. Its IUPAC name is (10R)-14-(2,2-dimethylpropyl)-12-[2-[4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-2-oxoethyl]-4,5,14-triazatetracyclo[7.6.0.02,6.010,12]pentadeca-1(9),2(6),3,7-tetraen-13-one.

Molecular Properties

Compound Name(10R)-14-(2,2-dimethylpropyl)-12-[2-[4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-2-oxoethyl]-4,5,14-triazatetracyclo[7.6.0.02,6.010,12]pentadeca-1(9),2(6),3,7-tetraen-13-one
PubChem CID143577147
Molecular FormulaC32H37FN6O3
Molecular Weight572.69 g/mol
Exact Mass572.29
IUPAC Name(10R)-14-(2,2-dimethylpropyl)-12-[2-[4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-2-oxoethyl]-4,5,14-triazatetracyclo[7.6.0.02,6.010,12]pentadeca-1(9),2(6),3,7-tetraen-13-one
SMILESCC(C)(C)CN1Cc2c(ccc3[nH]ncc23)[C@H]2CC2(CC(=O)N2CCC(N3Cc4cccc(F)c4NC3=O)CC2)C1=O
InChIInChI=1S/C32H37FN6O3/c1-31(2,3)18-38-17-23-21(7-8-26-22(23)15-34-36-26)24-13-32(24,29(38)41)14-27(40)37-11-9-20(10-12-37)39-16-19-5-4-6-25(33)28(19)35-30(39)42/h4-8,15,20,24H,9-14,16-18H2,1-3H3,(H,34,36)(H,35,42)/t24-,32?/m1/s1
InChIKeyBEKONTHMOFIATG-IFIVVKAWSA-N
XLogP4.99
TPSA101.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.69
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (10R)-14-(2,2-dimethylpropyl)-12-[2-[4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-2-oxoethyl]-4,5,14-triazatetracyclo[7.6.0.02,6.010,12]pentadeca-1(9),2(6),3,7-tetraen-13-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(10R)-14-(2,2-dimethylpropyl)-12-[2-oxo-2-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]ethyl]-4,5,14-triazatetracyclo[7.6.0.02,6.010,12]pentadeca-1(9),2(6),3,7-tetraen-13-one
CID 143577281
(10R)-7-chloro-12-[2-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]-14-(2,2,2-trifluoroethyl)-4,5,14-triazatetracyclo[7.6.0.02,6.010,12]pentadeca-1,3,6,8-tetraen-13-one
CID 143577233
N-[(7R)-9-(2,2-dimethylpropyl)-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-4-(3-oxo-1,4-dihydroisoquinolin-2-yl)piperidine-1-carboxamide
CID 59731868
(12R)-7-methyl-12-[2-oxo-2-[4-(2-oxo-1H-quinolin-3-yl)piperidin-1-yl]ethyl]-14-(2,2,2-trifluoroethyl)-4,5,14-triazatetracyclo[7.6.0.02,6.010,12]pentadeca-1(9),2(6),3,7-tetraen-13-one
CID 143576950
(7S)-4-chloro-7-[2-[4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-2-oxoethyl]-9-(pyridin-4-ylmethyl)-3,6,7,10-tetrahydropyrazolo[3,4-i][2]benzazepin-8-one
CID 11979245
(10R)-7-methyl-12-[2-oxo-2-[4-(2-oxo-1H-imidazol-3-yl)piperidin-1-yl]ethyl]-14-(2,2,2-trifluoroethyl)-4,5,14-triazatetracyclo[7.6.0.02,6.010,12]pentadeca-1(9),2(6),3,7-tetraen-13-one
CID 162554339
N-cyano-N'-[9-(2,2-dimethylpropyl)-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboximidamide
CID 11977641
(12S)-7-chloro-14-(2,2-dimethylpropyl)-12-[2-oxo-2-[4-(3-oxo-1,4-dihydroisoquinolin-2-yl)piperidin-1-yl]ethyl]-4,5,14-triazatricyclo[7.6.0.02,6]pentadeca-1,3,6,8-tetraen-13-one
CID 143228188
4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(7R)-8-oxo-9-(2-piperidin-1-ylethyl)-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]piperidine-1-carboxamide
CID 11977862
1-[1-[2-(17-methyl-8-propan-2-yl-6,9,14,15-tetrazapentacyclo[9.7.0.02,4.05,9.012,16]octadeca-1(11),5,7,12(16),13,17-hexaen-4-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 143851630
4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[8-oxo-9-(2-pyridin-4-ylethyl)-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]piperidine-1-carboxamide
CID 11979013
(2R)-4-[4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-2-[(7-methyl-1H-indazol-5-yl)methyl]-1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,4-dione
CID 70695974

Frequently Asked Questions

What is the IUPAC name of (10R)-14-(2,2-dimethylpropyl)-12-[2-[4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-2-oxoethyl]-4,5,14-triazatetracyclo[7.6.0.02,6.010,12]pentadeca-1(9),2(6),3,7-tetraen-13-one?
The IUPAC name of (10R)-14-(2,2-dimethylpropyl)-12-[2-[4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-2-oxoethyl]-4,5,14-triazatetracyclo[7.6.0.02,6.010,12]pentadeca-1(9),2(6),3,7-tetraen-13-one (CID 143577147) is (10R)-14-(2,2-dimethylpropyl)-12-[2-[4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-2-oxoethyl]-4,5,14-triazatetracyclo[7.6.0.02,6.010,12]pentadeca-1(9),2(6),3,7-tetraen-13-one.
What is the SMILES notation for (10R)-14-(2,2-dimethylpropyl)-12-[2-[4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-2-oxoethyl]-4,5,14-triazatetracyclo[7.6.0.02,6.010,12]pentadeca-1(9),2(6),3,7-tetraen-13-one?
The canonical SMILES for (10R)-14-(2,2-dimethylpropyl)-12-[2-[4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-2-oxoethyl]-4,5,14-triazatetracyclo[7.6.0.02,6.010,12]pentadeca-1(9),2(6),3,7-tetraen-13-one is CC(C)(C)CN1Cc2c(ccc3[nH]ncc23)[C@H]2CC2(CC(=O)N2CCC(N3Cc4cccc(F)c4NC3=O)CC2)C1=O.
What is the InChIKey of (10R)-14-(2,2-dimethylpropyl)-12-[2-[4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-2-oxoethyl]-4,5,14-triazatetracyclo[7.6.0.02,6.010,12]pentadeca-1(9),2(6),3,7-tetraen-13-one?
The InChIKey is BEKONTHMOFIATG-IFIVVKAWSA-N. The full InChI is InChI=1S/C32H37FN6O3/c1-31(2,3)18-38-17-23-21(7-8-26-22(23)15-34-36-26)24-13-32(24,29(38)41)14-27(40)37-11-9-20(10-12-37)39-16-19-5-4-6-25(33)28(19)35-30(39)42/h4-8,15,20,24H,9-14,16-18H2,1-3H3,(H,34,36)(H,35,42)/t24-,32?/m1/s1.
What are the key properties of (10R)-14-(2,2-dimethylpropyl)-12-[2-[4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-2-oxoethyl]-4,5,14-triazatetracyclo[7.6.0.02,6.010,12]pentadeca-1(9),2(6),3,7-tetraen-13-one?
(10R)-14-(2,2-dimethylpropyl)-12-[2-[4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-2-oxoethyl]-4,5,14-triazatetracyclo[7.6.0.02,6.010,12]pentadeca-1(9),2(6),3,7-tetraen-13-one has a molecular weight of 572.69 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-14-(2,2-dimethylpropyl)-12-[2-[4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-2-oxoethyl]-4,5,14-triazatetracyclo[7.6.0.02,6.010,12]pentadeca-1(9),2(6),3,7-tetraen-13-one is sourced from PubChem (CID 143577147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).