(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-1-yl)methanone

C29H32FN3O — CID 3254290

IUPAC(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-1-yl)methanone
SMILESCc1cc2nc3c(nc2cc1C)C1(C(=O)N2c4ccc(F)cc4CCC2C)CCC3(C)C1(C)C
InChIInChI=1S/C29H32FN3O/c1-16-13-21-22(14-17(16)2)32-25-24(31-21)28(6)11-12-29(25,27(28,4)5)26(34)33-18(3)7-8-19-15-20(30)9-10-23(19)33/h9-10,13-15,18H,7-8,11-12H2,1-6H3
InChIKeyLFCRUPONPHDARI-UHFFFAOYSA-N
MW457.59 g/mol
LogP6.08
Rot. Bonds1

About (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-1-yl)methanone

(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-1-yl)methanone (PubChem CID 3254290) has the molecular formula C29H32FN3O and a molecular weight of 457.59 g/mol. Its IUPAC name is (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-1-yl)methanone.

Molecular Properties

Compound Name(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-1-yl)methanone
PubChem CID3254290
Molecular FormulaC29H32FN3O
Molecular Weight457.59 g/mol
Exact Mass457.25
IUPAC Name(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-1-yl)methanone
SMILESCc1cc2nc3c(nc2cc1C)C1(C(=O)N2c4ccc(F)cc4CCC2C)CCC3(C)C1(C)C
InChIInChI=1S/C29H32FN3O/c1-16-13-21-22(14-17(16)2)32-25-24(31-21)28(6)11-12-29(25,27(28,4)5)26(34)33-18(3)7-8-19-15-20(30)9-10-23(19)33/h9-10,13-15,18H,7-8,11-12H2,1-6H3
InChIKeyLFCRUPONPHDARI-UHFFFAOYSA-N
XLogP6.08
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.59
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-1-yl)methanone 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

(1R,4S)-N,N,4,11,11-pentamethyl-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxamide
CID 664404
4,11,11-Trimethyl-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxamide
CID 2947641
(4-methylpiperazin-1-yl)(4,11,11-trimethyl-3,4-dihydro-1,4-methanophenazin-1(2H)-yl)methanone
CID 2951126
4,7,8,11,11-Pentamethyl-3,4-dihydro-2H-1,4-methano-phenazine-1-carboxylic acid dimethylamide
CID 3159358
N-ethyl-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.0~2,11~.0~4,9~]pentadeca-2(11),3,5,7,9-pentaene-1-carboxamide
CID 2957793
6,7,12,15,15-pentamethyl-N-propyl-3,10-diazatetracyclo[10.2.1.0~2,11~.0~4,9~]pentadeca-2(11),3,5,7,9-pentaene-1-carboxamide
CID 3159359
N,4,7,8,11,11-hexamethyl-3,4-dihydro-1,4-methanophenazine-1(2H)-carboxamide
CID 2955751
N-(4-fluorophenyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.0^{2,11}.0^{4,9}]pentadeca-2(11),3,5,7,9-pentaene-1-carboxamide
CID 2949857
5-[(6-Fluoro-2-methyl-3,4-dihydro-1(2H)-quinolinyl)carbonyl]-9,9-dimethyl-5,6,7,8-tetrahydro-5,8-methanoquinoxaline-2,3-dicarbonitrile
CID 2973054
1,15,15-Trimethyl-12-(pyrrolidine-1-carbonyl)-3,10-diazatetracyclo[10.2.1.0^{2,11}.0^{4,9}]pentadeca-2(11),3,5,7,9-pentaene
CID 4047915
N-(2-fluorophenyl)-4,11,11-trimethyl-3,4-dihydro-1,4-methanophenazine-1(2H)-carboxamide
CID 2973002
12,15,15-trimethyl-N-(2-phenylethyl)-3,10-diazatetracyclo[10.2.1.0^{2,11}.0^{4,9}]pentadeca-2(11),3,5,7,9-pentaene-1-carboxamide
CID 2959662

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-1-yl)methanone?
The IUPAC name of (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-1-yl)methanone (CID 3254290) is (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-1-yl)methanone.
What is the SMILES notation for (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-1-yl)methanone?
The canonical SMILES for (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-1-yl)methanone is Cc1cc2nc3c(nc2cc1C)C1(C(=O)N2c4ccc(F)cc4CCC2C)CCC3(C)C1(C)C.
What is the InChIKey of (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-1-yl)methanone?
The InChIKey is LFCRUPONPHDARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN3O/c1-16-13-21-22(14-17(16)2)32-25-24(31-21)28(6)11-12-29(25,27(28,4)5)26(34)33-18(3)7-8-19-15-20(30)9-10-23(19)33/h9-10,13-15,18H,7-8,11-12H2,1-6H3.
What are the key properties of (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-1-yl)methanone?
(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-1-yl)methanone has a molecular weight of 457.59 g/mol, XLogP of 6.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-1-yl)methanone is sourced from PubChem (CID 3254290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).