3-(4-oxoquinazolin-3-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide

C21H23N5O2 — CID 36758177

IUPAC3-(4-oxoquinazolin-3-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)NCc1ccnc(N2CCCC2)c1
InChIInChI=1S/C21H23N5O2/c27-20(8-12-26-15-24-18-6-2-1-5-17(18)21(26)28)23-14-16-7-9-22-19(13-16)25-10-3-4-11-25/h1-2,5-7,9,13,15H,3-4,8,10-12,14H2,(H,23,27)
InChIKeyXILBRYGUYSKLDZ-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.10
Rot. Bonds6

About 3-(4-oxoquinazolin-3-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide

3-(4-oxoquinazolin-3-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide (PubChem CID 36758177) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 3-(4-oxoquinazolin-3-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-oxoquinazolin-3-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
PubChem CID36758177
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name3-(4-oxoquinazolin-3-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)NCc1ccnc(N2CCCC2)c1
InChIInChI=1S/C21H23N5O2/c27-20(8-12-26-15-24-18-6-2-1-5-17(18)21(26)28)23-14-16-7-9-22-19(13-16)25-10-3-4-11-25/h1-2,5-7,9,13,15H,3-4,8,10-12,14H2,(H,23,27)
InChIKeyXILBRYGUYSKLDZ-UHFFFAOYSA-N
XLogP2.10
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-oxoquinazolin-3-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide
CID 46977564
3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119841583
N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 122294971
N-[(4-chlorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 1301490
N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 34487848
3-(4-oxoquinazolin-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
CID 55729811
2-(benzylcarbamoylamino)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 37313326
N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 122254609
N-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 122297137
4-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride
CID 119841403
3-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide
CID 72719244
N-but-3-ynyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 90537872

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxoquinazolin-3-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide?
The IUPAC name of 3-(4-oxoquinazolin-3-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide (CID 36758177) is 3-(4-oxoquinazolin-3-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-(4-oxoquinazolin-3-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-(4-oxoquinazolin-3-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide is O=C(CCn1cnc2ccccc2c1=O)NCc1ccnc(N2CCCC2)c1.
What is the InChIKey of 3-(4-oxoquinazolin-3-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide?
The InChIKey is XILBRYGUYSKLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-20(8-12-26-15-24-18-6-2-1-5-17(18)21(26)28)23-14-16-7-9-22-19(13-16)25-10-3-4-11-25/h1-2,5-7,9,13,15H,3-4,8,10-12,14H2,(H,23,27).
What are the key properties of 3-(4-oxoquinazolin-3-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide?
3-(4-oxoquinazolin-3-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide has a molecular weight of 377.45 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxoquinazolin-3-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide is sourced from PubChem (CID 36758177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).