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

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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).