4-(3-phenoxypyrrolidin-1-yl)-2-pyridin-3-ylquinazoline

C23H20N4O — CID 137470060

IUPAC4-(3-phenoxypyrrolidin-1-yl)-2-pyridin-3-ylquinazoline
SMILESc1ccc(OC2CCN(c3nc(-c4cccnc4)nc4ccccc34)C2)cc1
InChIInChI=1S/C23H20N4O/c1-2-8-18(9-3-1)28-19-12-14-27(16-19)23-20-10-4-5-11-21(20)25-22(26-23)17-7-6-13-24-15-17/h1-11,13,15,19H,12,14,16H2
InChIKeyPEPXCFIXQHXQLV-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.35
Rot. Bonds4

About 4-(3-phenoxypyrrolidin-1-yl)-2-pyridin-3-ylquinazoline

4-(3-phenoxypyrrolidin-1-yl)-2-pyridin-3-ylquinazoline (PubChem CID 137470060) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-(3-phenoxypyrrolidin-1-yl)-2-pyridin-3-ylquinazoline.

Molecular Properties

Compound Name4-(3-phenoxypyrrolidin-1-yl)-2-pyridin-3-ylquinazoline
PubChem CID137470060
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name4-(3-phenoxypyrrolidin-1-yl)-2-pyridin-3-ylquinazoline
SMILESc1ccc(OC2CCN(c3nc(-c4cccnc4)nc4ccccc34)C2)cc1
InChIInChI=1S/C23H20N4O/c1-2-8-18(9-3-1)28-19-12-14-27(16-19)23-20-10-4-5-11-21(20)25-22(26-23)17-7-6-13-24-15-17/h1-11,13,15,19H,12,14,16H2
InChIKeyPEPXCFIXQHXQLV-UHFFFAOYSA-N
XLogP4.35
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-4-[(3S)-3-phenoxypyrrolidin-1-yl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidine
CID 155096536
2-pyridin-3-yl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]quinazoline
CID 2540547
4-methyl-6-[(3R)-3-phenoxypyrrolidin-1-yl]-2-pyridin-3-ylpyrimidine
CID 154842652
4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-2-pyridin-3-ylquinazoline
CID 133322897
N-phenyl-1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-3-amine
CID 133363141
4-(2-pyridin-3-ylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 133287442
3-phenyl-5-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 133299396
2-(2-chlorophenyl)-4-(2-pyridin-3-ylquinazolin-4-yl)morpholine
CID 133289876
phenyl-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methanone
CID 2480686
6-(3-methoxyphenyl)-4-(3-phenylpyrrolidin-1-yl)-2-pyridin-3-ylquinazoline
CID 71274753
4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridin-3-ylquinazoline
CID 133327764
[5-methyl-1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-3-yl]methanol
CID 166238124

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenoxypyrrolidin-1-yl)-2-pyridin-3-ylquinazoline?
The IUPAC name of 4-(3-phenoxypyrrolidin-1-yl)-2-pyridin-3-ylquinazoline (CID 137470060) is 4-(3-phenoxypyrrolidin-1-yl)-2-pyridin-3-ylquinazoline.
What is the SMILES notation for 4-(3-phenoxypyrrolidin-1-yl)-2-pyridin-3-ylquinazoline?
The canonical SMILES for 4-(3-phenoxypyrrolidin-1-yl)-2-pyridin-3-ylquinazoline is c1ccc(OC2CCN(c3nc(-c4cccnc4)nc4ccccc34)C2)cc1.
What is the InChIKey of 4-(3-phenoxypyrrolidin-1-yl)-2-pyridin-3-ylquinazoline?
The InChIKey is PEPXCFIXQHXQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-2-8-18(9-3-1)28-19-12-14-27(16-19)23-20-10-4-5-11-21(20)25-22(26-23)17-7-6-13-24-15-17/h1-11,13,15,19H,12,14,16H2.
What are the key properties of 4-(3-phenoxypyrrolidin-1-yl)-2-pyridin-3-ylquinazoline?
4-(3-phenoxypyrrolidin-1-yl)-2-pyridin-3-ylquinazoline has a molecular weight of 368.44 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenoxypyrrolidin-1-yl)-2-pyridin-3-ylquinazoline is sourced from PubChem (CID 137470060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).