1-pyrrolidin-1-yl-3-(quinazolin-4-ylamino)propan-1-one

C15H18N4O — CID 47121012

IUPAC1-pyrrolidin-1-yl-3-(quinazolin-4-ylamino)propan-1-one
SMILESO=C(CCNc1ncnc2ccccc12)N1CCCC1
InChIInChI=1S/C15H18N4O/c20-14(19-9-3-4-10-19)7-8-16-15-12-5-1-2-6-13(12)17-11-18-15/h1-2,5-6,11H,3-4,7-10H2,(H,16,17,18)
InChIKeyRYKCNIIQDYYMBB-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.05
Rot. Bonds4

About 1-pyrrolidin-1-yl-3-(quinazolin-4-ylamino)propan-1-one

1-pyrrolidin-1-yl-3-(quinazolin-4-ylamino)propan-1-one (PubChem CID 47121012) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-3-(quinazolin-4-ylamino)propan-1-one.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-3-(quinazolin-4-ylamino)propan-1-one
PubChem CID47121012
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name1-pyrrolidin-1-yl-3-(quinazolin-4-ylamino)propan-1-one
SMILESO=C(CCNc1ncnc2ccccc12)N1CCCC1
InChIInChI=1S/C15H18N4O/c20-14(19-9-3-4-10-19)7-8-16-15-12-5-1-2-6-13(12)17-11-18-15/h1-2,5-6,11H,3-4,7-10H2,(H,16,17,18)
InChIKeyRYKCNIIQDYYMBB-UHFFFAOYSA-N
XLogP2.05
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyrrolidin-1-yl-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-1-one
CID 39948758
N-tert-butyl-3-(quinazolin-4-ylamino)propanamide
CID 115609152
2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-3H-quinazolin-4-one
CID 137264057
N-(4-hydroxyphenyl)-3-(quinazolin-4-ylamino)propanamide
CID 110437211
1-pyrrolidin-1-yl-3-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)propan-1-one
CID 115685896
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(quinazolin-4-ylamino)ethanone
CID 110436947
1-piperidin-1-yl-2-(quinazolin-4-ylamino)propan-1-one
CID 110436995
(2S)-2-[(quinazolin-4-ylamino)methyl]piperidine-1-carboxylic acid
CID 67089806
1-(2',4'-diaminospiro[1,4-oxazepane-6,6'-5H-furo[2,3-d]pyrimidine]-4-yl)-3-(quinazolin-4-ylamino)propan-1-one
CID 110144959
3-[(2-phenylquinazolin-4-yl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 133285501
2-methyl-4-(quinazolin-4-ylamino)butanoic acid
CID 80539709
N-butan-2-yl-4-(quinazolin-4-ylamino)butanamide
CID 110436131

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-3-(quinazolin-4-ylamino)propan-1-one?
The IUPAC name of 1-pyrrolidin-1-yl-3-(quinazolin-4-ylamino)propan-1-one (CID 47121012) is 1-pyrrolidin-1-yl-3-(quinazolin-4-ylamino)propan-1-one.
What is the SMILES notation for 1-pyrrolidin-1-yl-3-(quinazolin-4-ylamino)propan-1-one?
The canonical SMILES for 1-pyrrolidin-1-yl-3-(quinazolin-4-ylamino)propan-1-one is O=C(CCNc1ncnc2ccccc12)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-3-(quinazolin-4-ylamino)propan-1-one?
The InChIKey is RYKCNIIQDYYMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c20-14(19-9-3-4-10-19)7-8-16-15-12-5-1-2-6-13(12)17-11-18-15/h1-2,5-6,11H,3-4,7-10H2,(H,16,17,18).
What are the key properties of 1-pyrrolidin-1-yl-3-(quinazolin-4-ylamino)propan-1-one?
1-pyrrolidin-1-yl-3-(quinazolin-4-ylamino)propan-1-one has a molecular weight of 270.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-3-(quinazolin-4-ylamino)propan-1-one is sourced from PubChem (CID 47121012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).