3-[[7-chloro-2-(4-fluorophenyl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-propan-2-ylpropanamide

C24H28ClFN4O — CID 42809604

IUPAC3-[[7-chloro-2-(4-fluorophenyl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)CN(CCC(=O)NC(C)C)c1nc(-c2ccc(F)cc2)nc2cc(Cl)ccc12
InChIInChI=1S/C24H28ClFN4O/c1-15(2)14-30(12-11-22(31)27-16(3)4)24-20-10-7-18(25)13-21(20)28-23(29-24)17-5-8-19(26)9-6-17/h5-10,13,15-16H,11-12,14H2,1-4H3,(H,27,31)
InChIKeyUQKLRMOFURMERD-UHFFFAOYSA-N
MW442.97 g/mol
LogP5.47
Rot. Bonds8

About 3-[[7-chloro-2-(4-fluorophenyl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-propan-2-ylpropanamide

3-[[7-chloro-2-(4-fluorophenyl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-propan-2-ylpropanamide (PubChem CID 42809604) has the molecular formula C24H28ClFN4O and a molecular weight of 442.97 g/mol. Its IUPAC name is 3-[[7-chloro-2-(4-fluorophenyl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[[7-chloro-2-(4-fluorophenyl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-propan-2-ylpropanamide
PubChem CID42809604
Molecular FormulaC24H28ClFN4O
Molecular Weight442.97 g/mol
Exact Mass442.19
IUPAC Name3-[[7-chloro-2-(4-fluorophenyl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)CN(CCC(=O)NC(C)C)c1nc(-c2ccc(F)cc2)nc2cc(Cl)ccc12
InChIInChI=1S/C24H28ClFN4O/c1-15(2)14-30(12-11-22(31)27-16(3)4)24-20-10-7-18(25)13-21(20)28-23(29-24)17-5-8-19(26)9-6-17/h5-10,13,15-16H,11-12,14H2,1-4H3,(H,27,31)
InChIKeyUQKLRMOFURMERD-UHFFFAOYSA-N
XLogP5.47
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.97
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(7-chloro-2-phenylquinazolin-4-yl)-(2-methylpropyl)amino]-N-[(1R)-1-phenylethyl]propanamide
CID 93300051
3-[[7-chloro-2-(furan-2-yl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-(4-methoxyphenyl)propanamide
CID 42809628
3-[(7-chloro-2-cyclopropylquinazolin-4-yl)-propan-2-ylamino]-N-propan-2-ylpropanamide
CID 42809687
N-[(2S)-butan-2-yl]-3-[[7-chloro-2-(furan-2-yl)quinazolin-4-yl]-(2-methoxyethyl)amino]propanamide
CID 93299995
3-[(7-chloro-2-ethylquinazolin-4-yl)-(3-morpholin-4-ylpropyl)amino]-N-propan-2-ylpropanamide
CID 42809605
N-(furan-2-ylmethyl)-3-[2-methylpropyl-(2-phenylquinazolin-4-yl)amino]propanamide
CID 46133910
7-chloro-2-(4-fluorophenyl)quinazolin-4-amine
CID 61026323
3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-[(1S)-1-phenylethyl]propanamide
CID 93299874
N-[4-[7-chloro-4-[3-(diethylamino)propylamino]quinazolin-2-yl]phenyl]-3-methylbutanamide
CID 68861635
3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(3-morpholin-4-ylpropyl)amino]-N-phenylpropanamide
CID 24718255
4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-propan-2-ylbutanamide
CID 18847197
4-chloro-2-(4-chlorophenyl)-7-fluoroquinazoline
CID 53407921

Frequently Asked Questions

What is the IUPAC name of 3-[[7-chloro-2-(4-fluorophenyl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[[7-chloro-2-(4-fluorophenyl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-propan-2-ylpropanamide (CID 42809604) is 3-[[7-chloro-2-(4-fluorophenyl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[[7-chloro-2-(4-fluorophenyl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[[7-chloro-2-(4-fluorophenyl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-propan-2-ylpropanamide is CC(C)CN(CCC(=O)NC(C)C)c1nc(-c2ccc(F)cc2)nc2cc(Cl)ccc12.
What is the InChIKey of 3-[[7-chloro-2-(4-fluorophenyl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-propan-2-ylpropanamide?
The InChIKey is UQKLRMOFURMERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClFN4O/c1-15(2)14-30(12-11-22(31)27-16(3)4)24-20-10-7-18(25)13-21(20)28-23(29-24)17-5-8-19(26)9-6-17/h5-10,13,15-16H,11-12,14H2,1-4H3,(H,27,31).
What are the key properties of 3-[[7-chloro-2-(4-fluorophenyl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-propan-2-ylpropanamide?
3-[[7-chloro-2-(4-fluorophenyl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-propan-2-ylpropanamide has a molecular weight of 442.97 g/mol, XLogP of 5.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-chloro-2-(4-fluorophenyl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 42809604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).