7-chloro-2-[1-(furan-2-ylmethylamino)ethyl]-3H-quinazolin-4-one

C15H14ClN3O2 — CID 135526716

IUPAC7-chloro-2-[1-(furan-2-ylmethylamino)ethyl]-3H-quinazolin-4-one
SMILESCC(NCc1ccco1)c1nc2cc(Cl)ccc2c(=O)[nH]1
InChIInChI=1S/C15H14ClN3O2/c1-9(17-8-11-3-2-6-21-11)14-18-13-7-10(16)4-5-12(13)15(20)19-14/h2-7,9,17H,8H2,1H3,(H,18,19,20)
InChIKeyHFRNHKGELWQNEC-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.02
Rot. Bonds4

About 7-chloro-2-[1-(furan-2-ylmethylamino)ethyl]-3H-quinazolin-4-one

7-chloro-2-[1-(furan-2-ylmethylamino)ethyl]-3H-quinazolin-4-one (PubChem CID 135526716) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 7-chloro-2-[1-(furan-2-ylmethylamino)ethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[1-(furan-2-ylmethylamino)ethyl]-3H-quinazolin-4-one
PubChem CID135526716
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name7-chloro-2-[1-(furan-2-ylmethylamino)ethyl]-3H-quinazolin-4-one
SMILESCC(NCc1ccco1)c1nc2cc(Cl)ccc2c(=O)[nH]1
InChIInChI=1S/C15H14ClN3O2/c1-9(17-8-11-3-2-6-21-11)14-18-13-7-10(16)4-5-12(13)15(20)19-14/h2-7,9,17H,8H2,1H3,(H,18,19,20)
InChIKeyHFRNHKGELWQNEC-UHFFFAOYSA-N
XLogP3.02
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3H-quinazolin-4-one
CID 135809554
2-[(1R)-1-[[(1R)-1-(furan-2-yl)ethyl]amino]ethyl]-3H-quinazolin-4-one
CID 135751357
[(1S)-1-(7-chloro-4-oxo-3H-quinazolin-2-yl)ethyl]-pentylazanium
CID 135622591
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 135729974
7-chloro-2-[[[(S)-(4-methylphenyl)-phenylmethyl]amino]methyl]-3H-quinazolin-4-one
CID 135809534
7-chloro-2-[(4,4,4-trifluorobutan-2-ylamino)methyl]-3H-quinazolin-4-one
CID 136786648
7-chloro-2-[(1-ethylsulfanylpropan-2-ylamino)methyl]-3H-quinazolin-4-one
CID 136954266
2-(2-aminopropyl)-7-chloro-3H-quinazolin-4-one
CID 136917917
7-chloro-2-[[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3H-quinazolin-4-one
CID 135751440
6-chloro-2-[[furan-2-ylmethyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 135925758
3-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methylamino]butanamide
CID 136952206
2-[(1R)-1-[[(1R)-1-(3-chlorophenyl)ethyl]amino]ethyl]-3H-quinazolin-4-one
CID 135809073

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[1-(furan-2-ylmethylamino)ethyl]-3H-quinazolin-4-one?
The IUPAC name of 7-chloro-2-[1-(furan-2-ylmethylamino)ethyl]-3H-quinazolin-4-one (CID 135526716) is 7-chloro-2-[1-(furan-2-ylmethylamino)ethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 7-chloro-2-[1-(furan-2-ylmethylamino)ethyl]-3H-quinazolin-4-one?
The canonical SMILES for 7-chloro-2-[1-(furan-2-ylmethylamino)ethyl]-3H-quinazolin-4-one is CC(NCc1ccco1)c1nc2cc(Cl)ccc2c(=O)[nH]1.
What is the InChIKey of 7-chloro-2-[1-(furan-2-ylmethylamino)ethyl]-3H-quinazolin-4-one?
The InChIKey is HFRNHKGELWQNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-9(17-8-11-3-2-6-21-11)14-18-13-7-10(16)4-5-12(13)15(20)19-14/h2-7,9,17H,8H2,1H3,(H,18,19,20).
What are the key properties of 7-chloro-2-[1-(furan-2-ylmethylamino)ethyl]-3H-quinazolin-4-one?
7-chloro-2-[1-(furan-2-ylmethylamino)ethyl]-3H-quinazolin-4-one has a molecular weight of 303.75 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[1-(furan-2-ylmethylamino)ethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135526716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).