7-chloro-2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one

C19H20ClN3O3 — CID 135724878

IUPAC7-chloro-2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
SMILESCOc1ccc(CN(C)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1OC
InChIInChI=1S/C19H20ClN3O3/c1-23(10-12-4-7-16(25-2)17(8-12)26-3)11-18-21-15-9-13(20)5-6-14(15)19(24)22-18/h4-9H,10-11H2,1-3H3,(H,21,22,24)
InChIKeyWJZZKRUMBCUNDN-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.23
Rot. Bonds6

About 7-chloro-2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one

7-chloro-2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one (PubChem CID 135724878) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is 7-chloro-2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
PubChem CID135724878
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Name7-chloro-2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
SMILESCOc1ccc(CN(C)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1OC
InChIInChI=1S/C19H20ClN3O3/c1-23(10-12-4-7-16(25-2)17(8-12)26-3)11-18-21-15-9-13(20)5-6-14(15)19(24)22-18/h4-9H,10-11H2,1-3H3,(H,21,22,24)
InChIKeyWJZZKRUMBCUNDN-UHFFFAOYSA-N
XLogP3.23
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135811769
7-chloro-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135722541
6,7-dimethoxy-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135722533
2-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135724890
3-(3-bromo-4-methoxyphenyl)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-propylpropanamide
CID 135993529
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3,5-dimethoxy-4-methyl-N-propylbenzamide
CID 135962428
6-chloro-2-[(2-methoxy-N-methylanilino)methyl]-3H-quinazolin-4-one
CID 156870507
2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide
CID 135836465
2-[[furan-2-ylmethyl(methyl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135809081
7-chloro-2-[[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one
CID 135952239
2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135756594
methyl 2-[[(3-fluorophenyl)methyl-methylamino]methyl]-4-oxo-3H-quinazoline-7-carboxylate
CID 135939363

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 7-chloro-2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one (CID 135724878) is 7-chloro-2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 7-chloro-2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 7-chloro-2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one is COc1ccc(CN(C)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1OC.
What is the InChIKey of 7-chloro-2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one?
The InChIKey is WJZZKRUMBCUNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-23(10-12-4-7-16(25-2)17(8-12)26-3)11-18-21-15-9-13(20)5-6-14(15)19(24)22-18/h4-9H,10-11H2,1-3H3,(H,21,22,24).
What are the key properties of 7-chloro-2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one?
7-chloro-2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one has a molecular weight of 373.84 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135724878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).