7-chloro-2-(4-ethoxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one

C20H23ClN2O3 — CID 60525683

IUPAC7-chloro-2-(4-ethoxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
SMILESCCCN1C(=O)c2ccc(Cl)cc2NC1c1ccc(OCC)c(OC)c1
InChIInChI=1S/C20H23ClN2O3/c1-4-10-23-19(13-6-9-17(26-5-2)18(11-13)25-3)22-16-12-14(21)7-8-15(16)20(23)24/h6-9,11-12,19,22H,4-5,10H2,1-3H3
InChIKeyHAIFMKNMTZDKLT-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.72
Rot. Bonds6

About 7-chloro-2-(4-ethoxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one

7-chloro-2-(4-ethoxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one (PubChem CID 60525683) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 7-chloro-2-(4-ethoxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-(4-ethoxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
PubChem CID60525683
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name7-chloro-2-(4-ethoxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
SMILESCCCN1C(=O)c2ccc(Cl)cc2NC1c1ccc(OCC)c(OC)c1
InChIInChI=1S/C20H23ClN2O3/c1-4-10-23-19(13-6-9-17(26-5-2)18(11-13)25-3)22-16-12-14(21)7-8-15(16)20(23)24/h6-9,11-12,19,22H,4-5,10H2,1-3H3
InChIKeyHAIFMKNMTZDKLT-UHFFFAOYSA-N
XLogP4.72
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-2-(4-fluorophenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 60525651
(2S)-2-(4-methoxy-3-propoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009105
N-ethyl-2-[2-methoxy-4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
CID 9009141
(2R)-2-(4-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 743586
(2S)-3-propyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1131631
(2R)-7-chloro-3-propyl-2-(1H-pyrazol-5-yl)-1,2-dihydroquinazolin-4-one
CID 95305496
(2R)-3-[(2R)-butan-2-yl]-2-(4-ethoxy-3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008099
3-butyl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778948
2-[3-methoxy-4-(3-phenylpropoxy)phenyl]-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
CID 54779981
(2S)-2-(3,4-dichlorophenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 875044
2-[2-bromo-4-(2-hydroxyethoxy)phenyl]-7-chloro-3-propyl-1,2-dihydroquinazolin-4-one
CID 60525757
2-[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]-3-propyl-1,2-dihydroquinazolin-4-one
CID 23819494

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(4-ethoxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 7-chloro-2-(4-ethoxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one (CID 60525683) is 7-chloro-2-(4-ethoxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 7-chloro-2-(4-ethoxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 7-chloro-2-(4-ethoxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one is CCCN1C(=O)c2ccc(Cl)cc2NC1c1ccc(OCC)c(OC)c1.
What is the InChIKey of 7-chloro-2-(4-ethoxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
The InChIKey is HAIFMKNMTZDKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-4-10-23-19(13-6-9-17(26-5-2)18(11-13)25-3)22-16-12-14(21)7-8-15(16)20(23)24/h6-9,11-12,19,22H,4-5,10H2,1-3H3.
What are the key properties of 7-chloro-2-(4-ethoxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
7-chloro-2-(4-ethoxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one has a molecular weight of 374.87 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(4-ethoxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 60525683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).