6-chloro-2-[[furan-2-ylmethyl(methyl)amino]methyl]-3H-quinazolin-4-one

C15H14ClN3O2 — CID 135925758

IUPAC6-chloro-2-[[furan-2-ylmethyl(methyl)amino]methyl]-3H-quinazolin-4-one
SMILESCN(Cc1nc2ccc(Cl)cc2c(=O)[nH]1)Cc1ccco1
InChIInChI=1S/C15H14ClN3O2/c1-19(8-11-3-2-6-21-11)9-14-17-13-5-4-10(16)7-12(13)15(20)18-14/h2-7H,8-9H2,1H3,(H,17,18,20)
InChIKeyQHZYFRXRSIMQLE-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.80
Rot. Bonds4

About 6-chloro-2-[[furan-2-ylmethyl(methyl)amino]methyl]-3H-quinazolin-4-one

6-chloro-2-[[furan-2-ylmethyl(methyl)amino]methyl]-3H-quinazolin-4-one (PubChem CID 135925758) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 6-chloro-2-[[furan-2-ylmethyl(methyl)amino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-2-[[furan-2-ylmethyl(methyl)amino]methyl]-3H-quinazolin-4-one
PubChem CID135925758
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name6-chloro-2-[[furan-2-ylmethyl(methyl)amino]methyl]-3H-quinazolin-4-one
SMILESCN(Cc1nc2ccc(Cl)cc2c(=O)[nH]1)Cc1ccco1
InChIInChI=1S/C15H14ClN3O2/c1-19(8-11-3-2-6-21-11)9-14-17-13-5-4-10(16)7-12(13)15(20)18-14/h2-7H,8-9H2,1H3,(H,17,18,20)
InChIKeyQHZYFRXRSIMQLE-UHFFFAOYSA-N
XLogP2.80
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[furan-2-ylmethyl(methyl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135809081
6-chloro-2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one
CID 136674412
6-chloro-2-[(N,3-dimethylanilino)methyl]-3H-quinazolin-4-one
CID 156870496
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-[(2-methoxy-N-methylanilino)methyl]-3H-quinazolin-4-one
CID 156870507
2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(2-chlorophenyl)acetamide
CID 135950012
7-chloro-2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135811769
7-chloro-2-[[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one
CID 135952239
2-[[(2-chlorophenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135891137
2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135811807
7-chloro-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135722541

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[[furan-2-ylmethyl(methyl)amino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 6-chloro-2-[[furan-2-ylmethyl(methyl)amino]methyl]-3H-quinazolin-4-one (CID 135925758) is 6-chloro-2-[[furan-2-ylmethyl(methyl)amino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 6-chloro-2-[[furan-2-ylmethyl(methyl)amino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 6-chloro-2-[[furan-2-ylmethyl(methyl)amino]methyl]-3H-quinazolin-4-one is CN(Cc1nc2ccc(Cl)cc2c(=O)[nH]1)Cc1ccco1.
What is the InChIKey of 6-chloro-2-[[furan-2-ylmethyl(methyl)amino]methyl]-3H-quinazolin-4-one?
The InChIKey is QHZYFRXRSIMQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-19(8-11-3-2-6-21-11)9-14-17-13-5-4-10(16)7-12(13)15(20)18-14/h2-7H,8-9H2,1H3,(H,17,18,20).
What are the key properties of 6-chloro-2-[[furan-2-ylmethyl(methyl)amino]methyl]-3H-quinazolin-4-one?
6-chloro-2-[[furan-2-ylmethyl(methyl)amino]methyl]-3H-quinazolin-4-one has a molecular weight of 303.75 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[[furan-2-ylmethyl(methyl)amino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135925758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).