6-chloro-2-[(2-methoxy-N-methylanilino)methyl]-3H-quinazolin-4-one

C17H16ClN3O2 — CID 156870507

IUPAC6-chloro-2-[(2-methoxy-N-methylanilino)methyl]-3H-quinazolin-4-one
SMILESCOc1ccccc1N(C)Cc1nc2ccc(Cl)cc2c(=O)[nH]1
InChIInChI=1S/C17H16ClN3O2/c1-21(14-5-3-4-6-15(14)23-2)10-16-19-13-8-7-11(18)9-12(13)17(22)20-16/h3-9H,10H2,1-2H3,(H,19,20,22)
InChIKeyUCMBHADUJXXWCV-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.22
Rot. Bonds4

About 6-chloro-2-[(2-methoxy-N-methylanilino)methyl]-3H-quinazolin-4-one

6-chloro-2-[(2-methoxy-N-methylanilino)methyl]-3H-quinazolin-4-one (PubChem CID 156870507) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 6-chloro-2-[(2-methoxy-N-methylanilino)methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-2-[(2-methoxy-N-methylanilino)methyl]-3H-quinazolin-4-one
PubChem CID156870507
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name6-chloro-2-[(2-methoxy-N-methylanilino)methyl]-3H-quinazolin-4-one
SMILESCOc1ccccc1N(C)Cc1nc2ccc(Cl)cc2c(=O)[nH]1
InChIInChI=1S/C17H16ClN3O2/c1-21(14-5-3-4-6-15(14)23-2)10-16-19-13-8-7-11(18)9-12(13)17(22)20-16/h3-9H,10H2,1-2H3,(H,19,20,22)
InChIKeyUCMBHADUJXXWCV-UHFFFAOYSA-N
XLogP3.22
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-[(N,3-dimethylanilino)methyl]-3H-quinazolin-4-one
CID 156870496
6-chloro-2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one
CID 136674412
6-chloro-2-[[2-(4-fluorophenoxy)ethyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135570353
6-chloro-2-[[cyclohexyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 156870467
6-chloro-2-[[furan-2-ylmethyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 135925758
2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(2-chlorophenyl)acetamide
CID 135950012
2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135756594
7-chloro-2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135724878
2-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135415520
4-chloro-2-[(2-methoxy-N-methylanilino)methyl]phenol
CID 82978276
2-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135724890
2-[[ethyl-[(2-methoxyphenyl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135739497

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(2-methoxy-N-methylanilino)methyl]-3H-quinazolin-4-one?
The IUPAC name of 6-chloro-2-[(2-methoxy-N-methylanilino)methyl]-3H-quinazolin-4-one (CID 156870507) is 6-chloro-2-[(2-methoxy-N-methylanilino)methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 6-chloro-2-[(2-methoxy-N-methylanilino)methyl]-3H-quinazolin-4-one?
The canonical SMILES for 6-chloro-2-[(2-methoxy-N-methylanilino)methyl]-3H-quinazolin-4-one is COc1ccccc1N(C)Cc1nc2ccc(Cl)cc2c(=O)[nH]1.
What is the InChIKey of 6-chloro-2-[(2-methoxy-N-methylanilino)methyl]-3H-quinazolin-4-one?
The InChIKey is UCMBHADUJXXWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-21(14-5-3-4-6-15(14)23-2)10-16-19-13-8-7-11(18)9-12(13)17(22)20-16/h3-9H,10H2,1-2H3,(H,19,20,22).
What are the key properties of 6-chloro-2-[(2-methoxy-N-methylanilino)methyl]-3H-quinazolin-4-one?
6-chloro-2-[(2-methoxy-N-methylanilino)methyl]-3H-quinazolin-4-one has a molecular weight of 329.79 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(2-methoxy-N-methylanilino)methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 156870507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).