2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one

C21H23N3O3 — CID 168552193

IUPAC2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one
SMILESCOc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OCCN1CCCC1
InChIInChI=1S/C21H23N3O3/c1-26-19-14-15(8-9-18(19)27-13-12-24-10-4-5-11-24)20-22-17-7-3-2-6-16(17)21(25)23-20/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,22,23,25)
InChIKeyQRRNWLYNNHMMAW-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.07
Rot. Bonds6

About 2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one

2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one (PubChem CID 168552193) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one
PubChem CID168552193
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one
SMILESCOc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OCCN1CCCC1
InChIInChI=1S/C21H23N3O3/c1-26-19-14-15(8-9-18(19)27-13-12-24-10-4-5-11-24)20-22-17-7-3-2-6-16(17)21(25)23-20/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,22,23,25)
InChIKeyQRRNWLYNNHMMAW-UHFFFAOYSA-N
XLogP3.07
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one
CID 168552184
8-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-1,3-dimethyl-7H-purine-2,6-dione
CID 42631614
2-[3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 135472158
2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(2-phenylethyl)acetamide
CID 168552478
2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-3H-quinazolin-4-one
CID 168551574
2-(3-chloro-4-propoxyphenyl)-3H-quinazolin-4-one
CID 168551941
N-(4-bromophenyl)-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
CID 168551679
2-(3-butoxy-4-fluorophenyl)-3H-quinazolin-4-one
CID 168551083
2-(4-methyl-3-pentoxyphenyl)-3H-quinazolin-4-one
CID 168551335
methyl 2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)benzoate
CID 168550749
2-(4-fluoro-3-pentoxyphenyl)-3H-quinazolin-4-one
CID 168551050
2-[3-methoxy-4-(phenylsulfanylmethyl)phenyl]-3H-quinazolin-4-one
CID 168551572

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one (CID 168552193) is 2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one is COc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OCCN1CCCC1.
What is the InChIKey of 2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one?
The InChIKey is QRRNWLYNNHMMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-26-19-14-15(8-9-18(19)27-13-12-24-10-4-5-11-24)20-22-17-7-3-2-6-16(17)21(25)23-20/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,22,23,25).
What are the key properties of 2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one?
2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one has a molecular weight of 365.43 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 168552193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).