1-(6-chloro-8-fluoro-4-methyl-7-naphthalen-1-ylquinazolin-2-yl)-N,N-dimethylazetidin-3-amine

C24H22ClFN4 — CID 170095993

IUPAC1-(6-chloro-8-fluoro-4-methyl-7-naphthalen-1-ylquinazolin-2-yl)-N,N-dimethylazetidin-3-amine
SMILESCc1nc(N2CC(N(C)C)C2)nc2c(F)c(-c3cccc4ccccc34)c(Cl)cc12
InChIInChI=1S/C24H22ClFN4/c1-14-19-11-20(25)21(18-10-6-8-15-7-4-5-9-17(15)18)22(26)23(19)28-24(27-14)30-12-16(13-30)29(2)3/h4-11,16H,12-13H2,1-3H3
InChIKeyUAQXWWWIKKPLTG-UHFFFAOYSA-N
MW420.92 g/mol
LogP5.30
Rot. Bonds3

About 1-(6-chloro-8-fluoro-4-methyl-7-naphthalen-1-ylquinazolin-2-yl)-N,N-dimethylazetidin-3-amine

1-(6-chloro-8-fluoro-4-methyl-7-naphthalen-1-ylquinazolin-2-yl)-N,N-dimethylazetidin-3-amine (PubChem CID 170095993) has the molecular formula C24H22ClFN4 and a molecular weight of 420.92 g/mol. Its IUPAC name is 1-(6-chloro-8-fluoro-4-methyl-7-naphthalen-1-ylquinazolin-2-yl)-N,N-dimethylazetidin-3-amine.

Molecular Properties

Compound Name1-(6-chloro-8-fluoro-4-methyl-7-naphthalen-1-ylquinazolin-2-yl)-N,N-dimethylazetidin-3-amine
PubChem CID170095993
Molecular FormulaC24H22ClFN4
Molecular Weight420.92 g/mol
Exact Mass420.15
IUPAC Name1-(6-chloro-8-fluoro-4-methyl-7-naphthalen-1-ylquinazolin-2-yl)-N,N-dimethylazetidin-3-amine
SMILESCc1nc(N2CC(N(C)C)C2)nc2c(F)c(-c3cccc4ccccc34)c(Cl)cc12
InChIInChI=1S/C24H22ClFN4/c1-14-19-11-20(25)21(18-10-6-8-15-7-4-5-9-17(15)18)22(26)23(19)28-24(27-14)30-12-16(13-30)29(2)3/h4-11,16H,12-13H2,1-3H3
InChIKeyUAQXWWWIKKPLTG-UHFFFAOYSA-N
XLogP5.30
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.92
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-6-chloro-8-fluoro-7-naphthalen-1-ylquinazolin-2-yl]-N,N-dimethylazetidin-3-amine
CID 170095925
6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-N-(2-iminoethyl)-7-naphthalen-1-ylquinazolin-4-amine
CID 170100423
1-[4-(3-azabicyclo[4.1.0]heptan-6-yl)-6-chloro-8-fluoro-7-naphthalen-1-ylquinazolin-2-yl]-N,N-dimethylazetidin-3-amine
CID 170095057
1-[4-(2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrol-4-yl)-6-chloro-8-fluoro-7-naphthalen-1-ylquinazolin-2-yl]-N,N-dimethylazetidin-3-amine
CID 170096588
4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-4-piperidin-4-ylquinazolin-7-yl]naphthalen-2-ol
CID 170086707
1-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(3-hydroxynaphthalen-1-yl)quinazolin-4-yl]azetidine-3-carboxamide
CID 175442740
4-[6-chloro-4-[(1R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoroquinazolin-7-yl]naphthalen-2-ol
CID 170094405
4-[6-chloro-4-[(4S)-2,5-diazabicyclo[2.2.2]octan-2-yl]-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoroquinazolin-7-yl]naphthalen-2-ol
CID 175961439
4-[6-chloro-4-(2,6-diazatricyclo[3.3.1.13,7]decan-2-yl)-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoroquinazolin-7-yl]naphthalen-2-ol
CID 170086937
4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-4-[(2R)-2-methylpiperazin-1-yl]quinazolin-7-yl]naphthalen-2-ol
CID 174097542
4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-4-[(1S,5R)-8-ethanimidoyl-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoroquinazolin-7-yl]naphthalen-2-ol
CID 175744424
6-chloro-4-(3,6-dimethylazepan-1-yl)-8-fluoro-7-naphthalen-1-yl-2-piperazin-1-ylquinazoline
CID 170094617

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-8-fluoro-4-methyl-7-naphthalen-1-ylquinazolin-2-yl)-N,N-dimethylazetidin-3-amine?
The IUPAC name of 1-(6-chloro-8-fluoro-4-methyl-7-naphthalen-1-ylquinazolin-2-yl)-N,N-dimethylazetidin-3-amine (CID 170095993) is 1-(6-chloro-8-fluoro-4-methyl-7-naphthalen-1-ylquinazolin-2-yl)-N,N-dimethylazetidin-3-amine.
What is the SMILES notation for 1-(6-chloro-8-fluoro-4-methyl-7-naphthalen-1-ylquinazolin-2-yl)-N,N-dimethylazetidin-3-amine?
The canonical SMILES for 1-(6-chloro-8-fluoro-4-methyl-7-naphthalen-1-ylquinazolin-2-yl)-N,N-dimethylazetidin-3-amine is Cc1nc(N2CC(N(C)C)C2)nc2c(F)c(-c3cccc4ccccc34)c(Cl)cc12.
What is the InChIKey of 1-(6-chloro-8-fluoro-4-methyl-7-naphthalen-1-ylquinazolin-2-yl)-N,N-dimethylazetidin-3-amine?
The InChIKey is UAQXWWWIKKPLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN4/c1-14-19-11-20(25)21(18-10-6-8-15-7-4-5-9-17(15)18)22(26)23(19)28-24(27-14)30-12-16(13-30)29(2)3/h4-11,16H,12-13H2,1-3H3.
What are the key properties of 1-(6-chloro-8-fluoro-4-methyl-7-naphthalen-1-ylquinazolin-2-yl)-N,N-dimethylazetidin-3-amine?
1-(6-chloro-8-fluoro-4-methyl-7-naphthalen-1-ylquinazolin-2-yl)-N,N-dimethylazetidin-3-amine has a molecular weight of 420.92 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-8-fluoro-4-methyl-7-naphthalen-1-ylquinazolin-2-yl)-N,N-dimethylazetidin-3-amine is sourced from PubChem (CID 170095993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).