2-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one

C22H23N3O2 — CID 135495133

IUPAC2-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CCCN2CC=C(c3ccc(O)cc3)CC2)nc2ccccc12
InChIInChI=1S/C22H23N3O2/c26-18-9-7-16(8-10-18)17-11-14-25(15-12-17)13-3-6-21-23-20-5-2-1-4-19(20)22(27)24-21/h1-2,4-5,7-11,26H,3,6,12-15H2,(H,23,24,27)
InChIKeyVVYGOCQBAQDXOA-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.35
Rot. Bonds5

About 2-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one

2-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one (PubChem CID 135495133) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one
PubChem CID135495133
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CCCN2CC=C(c3ccc(O)cc3)CC2)nc2ccccc12
InChIInChI=1S/C22H23N3O2/c26-18-9-7-16(8-10-18)17-11-14-25(15-12-17)13-3-6-21-23-20-5-2-1-4-19(20)22(27)24-21/h1-2,4-5,7-11,26H,3,6,12-15H2,(H,23,24,27)
InChIKeyVVYGOCQBAQDXOA-UHFFFAOYSA-N
XLogP3.35
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one (CID 135495133) is 2-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one is O=c1[nH]c(CCCN2CC=C(c3ccc(O)cc3)CC2)nc2ccccc12.
What is the InChIKey of 2-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one?
The InChIKey is VVYGOCQBAQDXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-18-9-7-16(8-10-18)17-11-14-25(15-12-17)13-3-6-21-23-20-5-2-1-4-19(20)22(27)24-21/h1-2,4-5,7-11,26H,3,6,12-15H2,(H,23,24,27).
What are the key properties of 2-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one?
2-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one has a molecular weight of 361.45 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135495133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).