7-chloro-2-[[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3H-quinazolin-4-one

C21H24ClN3O — CID 135751440

IUPAC7-chloro-2-[[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3H-quinazolin-4-one
SMILESCCc1ccc([C@H](NCc2nc3cc(Cl)ccc3c(=O)[nH]2)C(C)C)cc1
InChIInChI=1S/C21H24ClN3O/c1-4-14-5-7-15(8-6-14)20(13(2)3)23-12-19-24-18-11-16(22)9-10-17(18)21(26)25-19/h5-11,13,20,23H,4,12H2,1-3H3,(H,24,25,26)/t20-/m1/s1
InChIKeyWWUONZLQROPPMG-HXUWFJFHSA-N
MW369.90 g/mol
LogP4.63
Rot. Bonds6

About 7-chloro-2-[[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3H-quinazolin-4-one

7-chloro-2-[[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3H-quinazolin-4-one (PubChem CID 135751440) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is 7-chloro-2-[[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3H-quinazolin-4-one
PubChem CID135751440
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name7-chloro-2-[[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3H-quinazolin-4-one
SMILESCCc1ccc([C@H](NCc2nc3cc(Cl)ccc3c(=O)[nH]2)C(C)C)cc1
InChIInChI=1S/C21H24ClN3O/c1-4-14-5-7-15(8-6-14)20(13(2)3)23-12-19-24-18-11-16(22)9-10-17(18)21(26)25-19/h5-11,13,20,23H,4,12H2,1-3H3,(H,24,25,26)/t20-/m1/s1
InChIKeyWWUONZLQROPPMG-HXUWFJFHSA-N
XLogP4.63
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-chloro-2-[[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3H-quinazolin-4-one with MolForge

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Related Compounds

7-chloro-2-[(1-ethylsulfanylpropan-2-ylamino)methyl]-3H-quinazolin-4-one
CID 136954266
7-chloro-2-[(4-ethylpyridin-1-ium-1-yl)methyl]-3H-quinazolin-4-one
CID 135677170
2-[[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]methyl]-3H-quinazolin-4-one
CID 135751472
7-chloro-2-[(4,4,4-trifluorobutan-2-ylamino)methyl]-3H-quinazolin-4-one
CID 136786648
7-chloro-2-[[[(S)-(4-methylphenyl)-phenylmethyl]amino]methyl]-3H-quinazolin-4-one
CID 135809534
3-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methylamino]butanamide
CID 136952206
7-chloro-2-[(2-methoxypropylamino)methyl]-3H-quinazolin-4-one
CID 136820283
7-chloro-2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3H-quinazolin-4-one
CID 135809554
2-[[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]methyl]-7-chloro-3H-quinazolin-4-one
CID 135912359
2-[[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135848624
2-(2-aminopropyl)-7-chloro-3H-quinazolin-4-one
CID 136917917
1-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-propylurea
CID 136983620

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 7-chloro-2-[[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3H-quinazolin-4-one (CID 135751440) is 7-chloro-2-[[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 7-chloro-2-[[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 7-chloro-2-[[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3H-quinazolin-4-one is CCc1ccc([C@H](NCc2nc3cc(Cl)ccc3c(=O)[nH]2)C(C)C)cc1.
What is the InChIKey of 7-chloro-2-[[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3H-quinazolin-4-one?
The InChIKey is WWUONZLQROPPMG-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H24ClN3O/c1-4-14-5-7-15(8-6-14)20(13(2)3)23-12-19-24-18-11-16(22)9-10-17(18)21(26)25-19/h5-11,13,20,23H,4,12H2,1-3H3,(H,24,25,26)/t20-/m1/s1.
What are the key properties of 7-chloro-2-[[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3H-quinazolin-4-one?
7-chloro-2-[[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3H-quinazolin-4-one has a molecular weight of 369.90 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135751440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).