2-[[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]methyl]-3H-quinazolin-4-one

C23H29N3O — CID 135751472

IUPAC2-[[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]methyl]-3H-quinazolin-4-one
SMILESCC(C)Cc1ccc([C@H](NCc2nc3ccccc3c(=O)[nH]2)C(C)C)cc1
InChIInChI=1S/C23H29N3O/c1-15(2)13-17-9-11-18(12-10-17)22(16(3)4)24-14-21-25-20-8-6-5-7-19(20)23(27)26-21/h5-12,15-16,22,24H,13-14H2,1-4H3,(H,25,26,27)/t22-/m1/s1
InChIKeyWUCVDOGCOYKDPF-JOCHJYFZSA-N
MW363.51 g/mol
LogP4.61
Rot. Bonds7

About 2-[[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]methyl]-3H-quinazolin-4-one

2-[[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]methyl]-3H-quinazolin-4-one (PubChem CID 135751472) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 2-[[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]methyl]-3H-quinazolin-4-one
PubChem CID135751472
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name2-[[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]methyl]-3H-quinazolin-4-one
SMILESCC(C)Cc1ccc([C@H](NCc2nc3ccccc3c(=O)[nH]2)C(C)C)cc1
InChIInChI=1S/C23H29N3O/c1-15(2)13-17-9-11-18(12-10-17)22(16(3)4)24-14-21-25-20-8-6-5-7-19(20)23(27)26-21/h5-12,15-16,22,24H,13-14H2,1-4H3,(H,25,26,27)/t22-/m1/s1
InChIKeyWUCVDOGCOYKDPF-JOCHJYFZSA-N
XLogP4.61
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]methyl]-3H-quinazolin-4-one with MolForge

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Related Compounds

7-chloro-2-[[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3H-quinazolin-4-one
CID 135751440
2-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]-3H-quinazolin-4-one
CID 135809077
2-[[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]methyl]-3H-quinazolin-4-one
CID 135600134
2-[(1-methylsulfinylpropan-2-ylamino)methyl]-3H-quinazolin-4-one
CID 136931896
ethyl-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808211
2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-3H-quinazolin-4-one
CID 135467291
N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135872878
2-[[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]methyl]-3H-quinazolin-4-one
CID 135729616
2-[(1R)-1-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]ethyl]-3H-quinazolin-4-one
CID 135751381
2-[(1S)-1-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]ethyl]-3H-quinazolin-4-one
CID 135751377
2-(2-methylpentyl)-3H-quinazolin-4-one
CID 136798516
2-[[3-(2-methylpropoxy)propylamino]methyl]-3H-quinazolin-4-one
CID 136818965

Frequently Asked Questions

What is the IUPAC name of 2-[[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]methyl]-3H-quinazolin-4-one (CID 135751472) is 2-[[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]methyl]-3H-quinazolin-4-one is CC(C)Cc1ccc([C@H](NCc2nc3ccccc3c(=O)[nH]2)C(C)C)cc1.
What is the InChIKey of 2-[[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]methyl]-3H-quinazolin-4-one?
The InChIKey is WUCVDOGCOYKDPF-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H29N3O/c1-15(2)13-17-9-11-18(12-10-17)22(16(3)4)24-14-21-25-20-8-6-5-7-19(20)23(27)26-21/h5-12,15-16,22,24H,13-14H2,1-4H3,(H,25,26,27)/t22-/m1/s1.
What are the key properties of 2-[[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]methyl]-3H-quinazolin-4-one?
2-[[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]methyl]-3H-quinazolin-4-one has a molecular weight of 363.51 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135751472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).