2-[[methyl-[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]-3H-quinazolin-4-one

C19H21N3O — CID 136688103

IUPAC2-[[methyl-[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]-3H-quinazolin-4-one
SMILESCc1ccc([C@@H](C)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C19H21N3O/c1-13-8-10-15(11-9-13)14(2)22(3)12-18-20-17-7-5-4-6-16(17)19(23)21-18/h4-11,14H,12H2,1-3H3,(H,20,21,23)/t14-/m1/s1
InChIKeyHDYDKIOLVMSRRV-CQSZACIVSA-N
MW307.40 g/mol
LogP3.42
Rot. Bonds4

About 2-[[methyl-[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]-3H-quinazolin-4-one

2-[[methyl-[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]-3H-quinazolin-4-one (PubChem CID 136688103) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[[methyl-[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[methyl-[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]-3H-quinazolin-4-one
PubChem CID136688103
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2-[[methyl-[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]-3H-quinazolin-4-one
SMILESCc1ccc([C@@H](C)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C19H21N3O/c1-13-8-10-15(11-9-13)14(2)22(3)12-18-20-17-7-5-4-6-16(17)19(23)21-18/h4-11,14H,12H2,1-3H3,(H,20,21,23)/t14-/m1/s1
InChIKeyHDYDKIOLVMSRRV-CQSZACIVSA-N
XLogP3.42
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[methyl-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]methyl]-3H-quinazolin-4-one
CID 135854712
2-[[[(1S)-1-(2-chlorophenyl)ethyl]-methylamino]methyl]-3H-quinazolin-4-one
CID 135909602
2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135997910
2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one
CID 162424449
2-[4-[1-(dimethylamino)ethyl]phenyl]-3H-quinazolin-4-one
CID 168550887
(3R)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135877147
N-methyl-2-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135875449
2-[(1R)-1-[methyl-[(1S)-1-phenylethyl]amino]ethyl]-3H-quinazolin-4-one
CID 136794259
2-[[[(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-methylamino]methyl]-3H-quinazolin-4-one
CID 135949305
2-[[methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]methyl]-3H-quinazolin-4-one
CID 135878040
2-[[ethyl-[2-(4-methylphenyl)sulfanylethyl]amino]methyl]-3H-quinazolin-4-one
CID 135808168
(2R)-2-(4-methylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide
CID 135956667

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[methyl-[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]-3H-quinazolin-4-one (CID 136688103) is 2-[[methyl-[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[methyl-[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[methyl-[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]-3H-quinazolin-4-one is Cc1ccc([C@@H](C)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of 2-[[methyl-[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]-3H-quinazolin-4-one?
The InChIKey is HDYDKIOLVMSRRV-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21N3O/c1-13-8-10-15(11-9-13)14(2)22(3)12-18-20-17-7-5-4-6-16(17)19(23)21-18/h4-11,14H,12H2,1-3H3,(H,20,21,23)/t14-/m1/s1.
What are the key properties of 2-[[methyl-[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]-3H-quinazolin-4-one?
2-[[methyl-[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]-3H-quinazolin-4-one has a molecular weight of 307.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 136688103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).