2-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinazolin-4-amine

C24H23N5 — CID 55986721

IUPAC2-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinazolin-4-amine
SMILESc1cncc(-c2nc(NCc3ccccc3N3CCCC3)c3ccccc3n2)c1
InChIInChI=1S/C24H23N5/c1-4-12-22(29-14-5-6-15-29)18(8-1)17-26-24-20-10-2-3-11-21(20)27-23(28-24)19-9-7-13-25-16-19/h1-4,7-13,16H,5-6,14-15,17H2,(H,26,27,28)
InChIKeyGVXWRSHSRRCMDA-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.90
Rot. Bonds5

About 2-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinazolin-4-amine

2-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinazolin-4-amine (PubChem CID 55986721) has the molecular formula C24H23N5 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinazolin-4-amine
PubChem CID55986721
Molecular FormulaC24H23N5
Molecular Weight381.48 g/mol
Exact Mass381.20
IUPAC Name2-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinazolin-4-amine
SMILESc1cncc(-c2nc(NCc3ccccc3N3CCCC3)c3ccccc3n2)c1
InChIInChI=1S/C24H23N5/c1-4-12-22(29-14-5-6-15-29)18(8-1)17-26-24-20-10-2-3-11-21(20)27-23(28-24)19-9-7-13-25-16-19/h1-4,7-13,16H,5-6,14-15,17H2,(H,26,27,28)
InChIKeyGVXWRSHSRRCMDA-UHFFFAOYSA-N
XLogP4.90
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinazolin-4-amine 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

N-[(2-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9251567
2-pyridin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinazolin-4-amine
CID 9024551
1-[3-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 133286263
N-prop-2-ynyl-2-pyridin-3-ylquinazolin-4-amine
CID 9251922
N-[(5-methylpyrazin-2-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 3234103
N-(2-cyclopropylethyl)-2-pyridin-3-ylquinazolin-4-amine
CID 133324203
N-[[(2S)-oxolan-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2546848
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2545874
N-methyl-2-pyridin-3-ylquinazolin-4-amine;propane
CID 142952952
4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]benzenesulfonamide;dihydrochloride
CID 19392360
2-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 9024030
N-(2-cyclopropyl-2-methoxypropyl)-2-pyridin-3-ylquinazolin-4-amine
CID 166215085

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinazolin-4-amine?
The IUPAC name of 2-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinazolin-4-amine (CID 55986721) is 2-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 2-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 2-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinazolin-4-amine is c1cncc(-c2nc(NCc3ccccc3N3CCCC3)c3ccccc3n2)c1.
What is the InChIKey of 2-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinazolin-4-amine?
The InChIKey is GVXWRSHSRRCMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5/c1-4-12-22(29-14-5-6-15-29)18(8-1)17-26-24-20-10-2-3-11-21(20)27-23(28-24)19-9-7-13-25-16-19/h1-4,7-13,16H,5-6,14-15,17H2,(H,26,27,28).
What are the key properties of 2-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinazolin-4-amine?
2-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinazolin-4-amine has a molecular weight of 381.48 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 55986721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).