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

C25H25N5 — CID 9024551

IUPAC2-pyridin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinazolin-4-amine
SMILESc1cncc(-c2nc(NCc3ccc(CN4CCCC4)cc3)c3ccccc3n2)c1
InChIInChI=1S/C25H25N5/c1-2-8-23-22(7-1)25(29-24(28-23)21-6-5-13-26-17-21)27-16-19-9-11-20(12-10-19)18-30-14-3-4-15-30/h1-2,5-13,17H,3-4,14-16,18H2,(H,27,28,29)
InChIKeyGKOMPWZPYZZDLH-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.90
Rot. Bonds6

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

2-pyridin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinazolin-4-amine (PubChem CID 9024551) has the molecular formula C25H25N5 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-pyridin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-pyridin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinazolin-4-amine
PubChem CID9024551
Molecular FormulaC25H25N5
Molecular Weight395.51 g/mol
Exact Mass395.21
IUPAC Name2-pyridin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinazolin-4-amine
SMILESc1cncc(-c2nc(NCc3ccc(CN4CCCC4)cc3)c3ccccc3n2)c1
InChIInChI=1S/C25H25N5/c1-2-8-23-22(7-1)25(29-24(28-23)21-6-5-13-26-17-21)27-16-19-9-11-20(12-10-19)18-30-14-3-4-15-30/h1-2,5-13,17H,3-4,14-16,18H2,(H,27,28,29)
InChIKeyGKOMPWZPYZZDLH-UHFFFAOYSA-N
XLogP4.90
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinazolin-4-amine
CID 55986721
4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]benzenesulfonamide;dihydrochloride
CID 19392360
N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9023704
N-prop-2-ynyl-2-pyridin-3-ylquinazolin-4-amine
CID 9251922
2-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 9024030
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9251567
N-[(5-methylpyrazin-2-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 3234103
N-benzyl-7-fluoro-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride
CID 19392183
N-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9311182
N-[(4-fluorophenyl)methyl]-2-(piperidin-1-ylmethyl)quinazolin-4-amine
CID 118722361
N-methyl-N-[4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133316378
1-[3-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 133286263

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinazolin-4-amine?
The IUPAC name of 2-pyridin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinazolin-4-amine (CID 9024551) is 2-pyridin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinazolin-4-amine.
What is the SMILES notation for 2-pyridin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinazolin-4-amine?
The canonical SMILES for 2-pyridin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinazolin-4-amine is c1cncc(-c2nc(NCc3ccc(CN4CCCC4)cc3)c3ccccc3n2)c1.
What is the InChIKey of 2-pyridin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinazolin-4-amine?
The InChIKey is GKOMPWZPYZZDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5/c1-2-8-23-22(7-1)25(29-24(28-23)21-6-5-13-26-17-21)27-16-19-9-11-20(12-10-19)18-30-14-3-4-15-30/h1-2,5-13,17H,3-4,14-16,18H2,(H,27,28,29).
What are the key properties of 2-pyridin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinazolin-4-amine?
2-pyridin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinazolin-4-amine has a molecular weight of 395.51 g/mol, XLogP of 4.90, 6 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-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinazolin-4-amine is sourced from PubChem (CID 9024551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).