4-[[1-(3-fluorophenyl)pyrrolidin-3-yl]amino]-2-methylquinazoline-8-carboxamide

C20H20FN5O — CID 142798676

IUPAC4-[[1-(3-fluorophenyl)pyrrolidin-3-yl]amino]-2-methylquinazoline-8-carboxamide
SMILESCc1nc(NC2CCN(c3cccc(F)c3)C2)c2cccc(C(N)=O)c2n1
InChIInChI=1S/C20H20FN5O/c1-12-23-18-16(19(22)27)6-3-7-17(18)20(24-12)25-14-8-9-26(11-14)15-5-2-4-13(21)10-15/h2-7,10,14H,8-9,11H2,1H3,(H2,22,27)(H,23,24,25)
InChIKeyCXAMAQRBIRWYJZ-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.87
Rot. Bonds4

About 4-[[1-(3-fluorophenyl)pyrrolidin-3-yl]amino]-2-methylquinazoline-8-carboxamide

4-[[1-(3-fluorophenyl)pyrrolidin-3-yl]amino]-2-methylquinazoline-8-carboxamide (PubChem CID 142798676) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is 4-[[1-(3-fluorophenyl)pyrrolidin-3-yl]amino]-2-methylquinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[1-(3-fluorophenyl)pyrrolidin-3-yl]amino]-2-methylquinazoline-8-carboxamide
PubChem CID142798676
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name4-[[1-(3-fluorophenyl)pyrrolidin-3-yl]amino]-2-methylquinazoline-8-carboxamide
SMILESCc1nc(NC2CCN(c3cccc(F)c3)C2)c2cccc(C(N)=O)c2n1
InChIInChI=1S/C20H20FN5O/c1-12-23-18-16(19(22)27)6-3-7-17(18)20(24-12)25-14-8-9-26(11-14)15-5-2-4-13(21)10-15/h2-7,10,14H,8-9,11H2,1H3,(H2,22,27)(H,23,24,25)
InChIKeyCXAMAQRBIRWYJZ-UHFFFAOYSA-N
XLogP2.87
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[1-(3-fluorophenyl)pyrrolidin-3-yl]amino]-2-methylquinazoline-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]quinazoline-8-carboxamide
CID 142798674
4-[[1-(3,4-dimethoxyphenyl)piperidin-3-yl]amino]quinazoline-8-carboxamide
CID 142798696
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 110478479
2-amino-N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 110480014
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methoxyacetamide
CID 110479175
1-(3-fluorophenyl)piperidine-4-carboxamide
CID 117008345
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-4-hydroxybutanamide
CID 110480296
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methylquinoline-3-carboxamide
CID 86961456
4-[[1-(5-fluoro-2-methoxyphenyl)-2-(methylamino)ethyl]amino]-2-methylquinazoline-8-carboxamide
CID 77397249
4-[[4-(3-fluorophenyl)pyrrolidin-3-yl]amino]quinazoline-8-carboxamide
CID 66715280
1-(3-fluorophenyl)-5-[[4-[3-[1-[2-[[1-(3-fluorophenyl)piperidin-3-yl]amino]-4-pyridinyl]pyrrolidin-3-yl]pyrrolidin-1-yl]-2-pyridinyl]amino]piperidine-3-carboxamide
CID 171540106
2-amino-N-[[2-[[(3R)-1-(3-fluorophenyl)piperidin-3-yl]amino]-4-piperidin-1-ylphenyl]methyl]acetamide
CID 171539907

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3-fluorophenyl)pyrrolidin-3-yl]amino]-2-methylquinazoline-8-carboxamide?
The IUPAC name of 4-[[1-(3-fluorophenyl)pyrrolidin-3-yl]amino]-2-methylquinazoline-8-carboxamide (CID 142798676) is 4-[[1-(3-fluorophenyl)pyrrolidin-3-yl]amino]-2-methylquinazoline-8-carboxamide.
What is the SMILES notation for 4-[[1-(3-fluorophenyl)pyrrolidin-3-yl]amino]-2-methylquinazoline-8-carboxamide?
The canonical SMILES for 4-[[1-(3-fluorophenyl)pyrrolidin-3-yl]amino]-2-methylquinazoline-8-carboxamide is Cc1nc(NC2CCN(c3cccc(F)c3)C2)c2cccc(C(N)=O)c2n1.
What is the InChIKey of 4-[[1-(3-fluorophenyl)pyrrolidin-3-yl]amino]-2-methylquinazoline-8-carboxamide?
The InChIKey is CXAMAQRBIRWYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c1-12-23-18-16(19(22)27)6-3-7-17(18)20(24-12)25-14-8-9-26(11-14)15-5-2-4-13(21)10-15/h2-7,10,14H,8-9,11H2,1H3,(H2,22,27)(H,23,24,25).
What are the key properties of 4-[[1-(3-fluorophenyl)pyrrolidin-3-yl]amino]-2-methylquinazoline-8-carboxamide?
4-[[1-(3-fluorophenyl)pyrrolidin-3-yl]amino]-2-methylquinazoline-8-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3-fluorophenyl)pyrrolidin-3-yl]amino]-2-methylquinazoline-8-carboxamide is sourced from PubChem (CID 142798676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).