1-[3-methoxy-2-(propylamino)propyl]-3-methyl-4H-quinazolin-2-one

C16H25N3O2 — CID 107506387

IUPAC1-[3-methoxy-2-(propylamino)propyl]-3-methyl-4H-quinazolin-2-one
SMILESCCCNC(COC)CN1C(=O)N(C)Cc2ccccc21
InChIInChI=1S/C16H25N3O2/c1-4-9-17-14(12-21-3)11-19-15-8-6-5-7-13(15)10-18(2)16(19)20/h5-8,14,17H,4,9-12H2,1-3H3
InChIKeyKANAKGOUIPDFGF-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.07
Rot. Bonds7

About 1-[3-methoxy-2-(propylamino)propyl]-3-methyl-4H-quinazolin-2-one

1-[3-methoxy-2-(propylamino)propyl]-3-methyl-4H-quinazolin-2-one (PubChem CID 107506387) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[3-methoxy-2-(propylamino)propyl]-3-methyl-4H-quinazolin-2-one.

Molecular Properties

Compound Name1-[3-methoxy-2-(propylamino)propyl]-3-methyl-4H-quinazolin-2-one
PubChem CID107506387
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-[3-methoxy-2-(propylamino)propyl]-3-methyl-4H-quinazolin-2-one
SMILESCCCNC(COC)CN1C(=O)N(C)Cc2ccccc21
InChIInChI=1S/C16H25N3O2/c1-4-9-17-14(12-21-3)11-19-15-8-6-5-7-13(15)10-18(2)16(19)20/h5-8,14,17H,4,9-12H2,1-3H3
InChIKeyKANAKGOUIPDFGF-UHFFFAOYSA-N
XLogP2.07
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Dihydro-3-methyl-2(1H)-quinazolinone
CID 3846558
1-(1-Propionylpiperidin-4-yl)-3-m-tolylurea
CID 49782798
1-(1-Propionylpiperidin-4-yl)-3-p-tolylurea
CID 49782799
N-(2,5-dimethylphenyl)-N'-[2-(4-propylpiperazin-1-yl)ethyl]urea
CID 22430388
4-(N-(P-Tolyl)carbamoyl)morpholine
CID 790704
1,2,3,4-Tetrahydroquinazolin-2-one
CID 12360756
1-(1-Propionylpiperidin-4-yl)-3-o-tolylurea
CID 49782797
N-[(1-methyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide
CID 122188347
N-[(1-propyl-3,4-dihydro-2H-quinolin-2-yl)methyl]acetamide
CID 122188349
N-[4-(butan-2-yl)phenyl]morpholine-4-carboxamide
CID 2880620
1-(2,5-Dimethylphenyl)-3-(2-piperidin-1-ylethyl)urea
CID 6464332
1-(3-(4-Phenylpiperazin-1-yl)propyl)-3-(o-tolyl)urea
CID 9550410

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-(propylamino)propyl]-3-methyl-4H-quinazolin-2-one?
The IUPAC name of 1-[3-methoxy-2-(propylamino)propyl]-3-methyl-4H-quinazolin-2-one (CID 107506387) is 1-[3-methoxy-2-(propylamino)propyl]-3-methyl-4H-quinazolin-2-one.
What is the SMILES notation for 1-[3-methoxy-2-(propylamino)propyl]-3-methyl-4H-quinazolin-2-one?
The canonical SMILES for 1-[3-methoxy-2-(propylamino)propyl]-3-methyl-4H-quinazolin-2-one is CCCNC(COC)CN1C(=O)N(C)Cc2ccccc21.
What is the InChIKey of 1-[3-methoxy-2-(propylamino)propyl]-3-methyl-4H-quinazolin-2-one?
The InChIKey is KANAKGOUIPDFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-9-17-14(12-21-3)11-19-15-8-6-5-7-13(15)10-18(2)16(19)20/h5-8,14,17H,4,9-12H2,1-3H3.
What are the key properties of 1-[3-methoxy-2-(propylamino)propyl]-3-methyl-4H-quinazolin-2-one?
1-[3-methoxy-2-(propylamino)propyl]-3-methyl-4H-quinazolin-2-one has a molecular weight of 291.39 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-(propylamino)propyl]-3-methyl-4H-quinazolin-2-one is sourced from PubChem (CID 107506387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).