6,7-dimethoxy-2-[[[(1R)-1-phenylethyl]amino]methyl]-3H-quinazolin-4-one

C19H21N3O3 — CID 135767367

IUPAC6,7-dimethoxy-2-[[[(1R)-1-phenylethyl]amino]methyl]-3H-quinazolin-4-one
SMILESCOc1cc2nc(CN[C@H](C)c3ccccc3)[nH]c(=O)c2cc1OC
InChIInChI=1S/C19H21N3O3/c1-12(13-7-5-4-6-8-13)20-11-18-21-15-10-17(25-3)16(24-2)9-14(15)19(23)22-18/h4-10,12,20H,11H2,1-3H3,(H,21,22,23)/t12-/m1/s1
InChIKeyLWHLAZINCFBCBC-GFCCVEGCSA-N
MW339.40 g/mol
LogP2.79
Rot. Bonds6

About 6,7-dimethoxy-2-[[[(1R)-1-phenylethyl]amino]methyl]-3H-quinazolin-4-one

6,7-dimethoxy-2-[[[(1R)-1-phenylethyl]amino]methyl]-3H-quinazolin-4-one (PubChem CID 135767367) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 6,7-dimethoxy-2-[[[(1R)-1-phenylethyl]amino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-2-[[[(1R)-1-phenylethyl]amino]methyl]-3H-quinazolin-4-one
PubChem CID135767367
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name6,7-dimethoxy-2-[[[(1R)-1-phenylethyl]amino]methyl]-3H-quinazolin-4-one
SMILESCOc1cc2nc(CN[C@H](C)c3ccccc3)[nH]c(=O)c2cc1OC
InChIInChI=1S/C19H21N3O3/c1-12(13-7-5-4-6-8-13)20-11-18-21-15-10-17(25-3)16(24-2)9-14(15)19(23)22-18/h4-10,12,20H,11H2,1-3H3,(H,21,22,23)/t12-/m1/s1
InChIKeyLWHLAZINCFBCBC-GFCCVEGCSA-N
XLogP2.79
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6,7-dimethoxy-2-[[[(1R)-1-phenylethyl]amino]methyl]-3H-quinazolin-4-one with MolForge

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Related Compounds

2-[[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135809490
2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135751347
2-[[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135964332
2-[[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135848624
2-[[[(1R)-1,2-bis(4-methoxyphenyl)ethyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135964295
2-[[[(1R)-1-(4-bromophenyl)propyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135964329
methyl 4-oxo-2-[[1-(4-phenylphenyl)ethylamino]methyl]-3H-quinazoline-7-carboxylate
CID 135997872
2-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]-3H-quinazolin-4-one
CID 135809077
2-[[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]methyl]-7-chloro-3H-quinazolin-4-one
CID 135912359
2-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135415520
2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methylsulfanyl]-N-(2-hydroxy-2-phenylethyl)acetamide
CID 135654138
2-amino-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-phenylacetamide
CID 137156480

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-[[[(1R)-1-phenylethyl]amino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 6,7-dimethoxy-2-[[[(1R)-1-phenylethyl]amino]methyl]-3H-quinazolin-4-one (CID 135767367) is 6,7-dimethoxy-2-[[[(1R)-1-phenylethyl]amino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 6,7-dimethoxy-2-[[[(1R)-1-phenylethyl]amino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 6,7-dimethoxy-2-[[[(1R)-1-phenylethyl]amino]methyl]-3H-quinazolin-4-one is COc1cc2nc(CN[C@H](C)c3ccccc3)[nH]c(=O)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-[[[(1R)-1-phenylethyl]amino]methyl]-3H-quinazolin-4-one?
The InChIKey is LWHLAZINCFBCBC-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12(13-7-5-4-6-8-13)20-11-18-21-15-10-17(25-3)16(24-2)9-14(15)19(23)22-18/h4-10,12,20H,11H2,1-3H3,(H,21,22,23)/t12-/m1/s1.
What are the key properties of 6,7-dimethoxy-2-[[[(1R)-1-phenylethyl]amino]methyl]-3H-quinazolin-4-one?
6,7-dimethoxy-2-[[[(1R)-1-phenylethyl]amino]methyl]-3H-quinazolin-4-one has a molecular weight of 339.40 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-[[[(1R)-1-phenylethyl]amino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135767367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).