N-[3-(7-cyano-4-oxoquinazolin-3-yl)-1-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]-4,4-difluoropiperidin-2-yl]-3,3,3-trifluoro-N-hydroxy-2-oxopropanamide

C32H27F6N7O6 — CID 140808693

IUPACN-[3-(7-cyano-4-oxoquinazolin-3-yl)-1-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]-4,4-difluoropiperidin-2-yl]-3,3,3-trifluoro-N-hydroxy-2-oxopropanamide
SMILESCC(C)n1c(=O)n(CC2CC2)c(=O)c2cc(N3CCC(F)(F)C(n4cnc5cc(C#N)ccc5c4=O)C3N(O)C(=O)C(=O)C(F)(F)F)c(F)cc21
InChIInChI=1S/C32H27F6N7O6/c1-15(2)44-22-11-20(33)23(10-19(22)28(48)42(30(44)50)13-16-3-4-16)41-8-7-31(34,35)24(26(41)45(51)29(49)25(46)32(36,37)38)43-14-40-21-9-17(12-39)5-6-18(21)27(43)47/h5-6,9-11,14-16,24,26,51H,3-4,7-8,13H2,1-2H3
InChIKeyOAIPDQYXZIBPAQ-UHFFFAOYSA-N
MW719.60 g/mol
LogP3.64
Rot. Bonds7

About N-[3-(7-cyano-4-oxoquinazolin-3-yl)-1-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]-4,4-difluoropiperidin-2-yl]-3,3,3-trifluoro-N-hydroxy-2-oxopropanamide

N-[3-(7-cyano-4-oxoquinazolin-3-yl)-1-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]-4,4-difluoropiperidin-2-yl]-3,3,3-trifluoro-N-hydroxy-2-oxopropanamide (PubChem CID 140808693) has the molecular formula C32H27F6N7O6 and a molecular weight of 719.60 g/mol. Its IUPAC name is N-[3-(7-cyano-4-oxoquinazolin-3-yl)-1-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]-4,4-difluoropiperidin-2-yl]-3,3,3-trifluoro-N-hydroxy-2-oxopropanamide.

Molecular Properties

Compound NameN-[3-(7-cyano-4-oxoquinazolin-3-yl)-1-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]-4,4-difluoropiperidin-2-yl]-3,3,3-trifluoro-N-hydroxy-2-oxopropanamide
PubChem CID140808693
Molecular FormulaC32H27F6N7O6
Molecular Weight719.60 g/mol
Exact Mass719.19
IUPAC NameN-[3-(7-cyano-4-oxoquinazolin-3-yl)-1-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]-4,4-difluoropiperidin-2-yl]-3,3,3-trifluoro-N-hydroxy-2-oxopropanamide
SMILESCC(C)n1c(=O)n(CC2CC2)c(=O)c2cc(N3CCC(F)(F)C(n4cnc5cc(C#N)ccc5c4=O)C3N(O)C(=O)C(=O)C(F)(F)F)c(F)cc21
InChIInChI=1S/C32H27F6N7O6/c1-15(2)44-22-11-20(33)23(10-19(22)28(48)42(30(44)50)13-16-3-4-16)41-8-7-31(34,35)24(26(41)45(51)29(49)25(46)32(36,37)38)43-14-40-21-9-17(12-39)5-6-18(21)27(43)47/h5-6,9-11,14-16,24,26,51H,3-4,7-8,13H2,1-2H3
InChIKeyOAIPDQYXZIBPAQ-UHFFFAOYSA-N
XLogP3.64
TPSA163.53 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.60
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[3-(7-cyano-4-oxoquinazolin-3-yl)-1-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]-4,4-difluoropiperidin-2-yl]-3,3,3-trifluoro-N-hydroxy-2-oxopropanamide with MolForge

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Related Compounds

3-(7-cyano-4-oxoquinazolin-3-yl)-N-[3-[(3,3-difluorocyclobutyl)methyl]-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]piperidine-1-carboxamide
CID 130396533
3-(7-cyano-4-oxoquinazolin-3-yl)-N-[7-fluoro-2,4-dioxo-3-[[(2S)-oxolan-2-yl]methyl]-1-propan-2-ylquinazolin-6-yl]piperidine-1-carboxamide
CID 130396536
4-cyano-N-[[1-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]cyclopropyl]methyl]benzamide
CID 130221506
6-amino-3-[(3,3-difluorocyclobutyl)methyl]-7-fluoro-1-propan-2-ylquinazoline-2,4-dione
CID 130220707
(3R)-3-(7-cyano-4-hydroxy-4-methylquinazolin-3-yl)-N-[3-[(2,2-difluorocyclopropyl)methyl]-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]piperidine-1-carboxamide
CID 130243469
N-[(1S,2S)-2-[(4-cyano-3-fluorophenyl)carbamoylamino]cyclohexyl]-3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-ylquinazoline-6-carboxamide
CID 130221311
N-[1-[[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-2-methylindazole-5-carboxamide
CID 130400646
2-(4-cyano-3-fluorophenyl)-N-[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]-1-oxo-4-phenylmethoxy-6,7,9,9a-tetrahydro-4H-pyrazino[1,2-d][1,2,4]triazin-2-ium-8-carboxamide
CID 140808688
[1-[[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]carbamic acid
CID 130221600
N-(3-chloro-4-cyanophenyl)-N'-[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]-3-hydroxy-3-methylpentanediamide
CID 78324932
5-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-4,6-dioxo-5-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl]-1-methylpyrrole-3-carbonitrile
CID 70682735
N-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]-3-[[4-(methoxymethyl)benzoyl]amino]piperidine-1-carboxamide
CID 130400601

Frequently Asked Questions

What is the IUPAC name of N-[3-(7-cyano-4-oxoquinazolin-3-yl)-1-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]-4,4-difluoropiperidin-2-yl]-3,3,3-trifluoro-N-hydroxy-2-oxopropanamide?
The IUPAC name of N-[3-(7-cyano-4-oxoquinazolin-3-yl)-1-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]-4,4-difluoropiperidin-2-yl]-3,3,3-trifluoro-N-hydroxy-2-oxopropanamide (CID 140808693) is N-[3-(7-cyano-4-oxoquinazolin-3-yl)-1-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]-4,4-difluoropiperidin-2-yl]-3,3,3-trifluoro-N-hydroxy-2-oxopropanamide.
What is the SMILES notation for N-[3-(7-cyano-4-oxoquinazolin-3-yl)-1-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]-4,4-difluoropiperidin-2-yl]-3,3,3-trifluoro-N-hydroxy-2-oxopropanamide?
The canonical SMILES for N-[3-(7-cyano-4-oxoquinazolin-3-yl)-1-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]-4,4-difluoropiperidin-2-yl]-3,3,3-trifluoro-N-hydroxy-2-oxopropanamide is CC(C)n1c(=O)n(CC2CC2)c(=O)c2cc(N3CCC(F)(F)C(n4cnc5cc(C#N)ccc5c4=O)C3N(O)C(=O)C(=O)C(F)(F)F)c(F)cc21.
What is the InChIKey of N-[3-(7-cyano-4-oxoquinazolin-3-yl)-1-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]-4,4-difluoropiperidin-2-yl]-3,3,3-trifluoro-N-hydroxy-2-oxopropanamide?
The InChIKey is OAIPDQYXZIBPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27F6N7O6/c1-15(2)44-22-11-20(33)23(10-19(22)28(48)42(30(44)50)13-16-3-4-16)41-8-7-31(34,35)24(26(41)45(51)29(49)25(46)32(36,37)38)43-14-40-21-9-17(12-39)5-6-18(21)27(43)47/h5-6,9-11,14-16,24,26,51H,3-4,7-8,13H2,1-2H3.
What are the key properties of N-[3-(7-cyano-4-oxoquinazolin-3-yl)-1-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]-4,4-difluoropiperidin-2-yl]-3,3,3-trifluoro-N-hydroxy-2-oxopropanamide?
N-[3-(7-cyano-4-oxoquinazolin-3-yl)-1-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]-4,4-difluoropiperidin-2-yl]-3,3,3-trifluoro-N-hydroxy-2-oxopropanamide has a molecular weight of 719.60 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(7-cyano-4-oxoquinazolin-3-yl)-1-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]-4,4-difluoropiperidin-2-yl]-3,3,3-trifluoro-N-hydroxy-2-oxopropanamide is sourced from PubChem (CID 140808693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).