[2-amino-4-[[(1R)-1-pyridin-2-ylethyl]amino]quinazolin-7-yl]-pyrrolidin-1-ylmethanone

C20H22N6O — CID 74767836

IUPAC[2-amino-4-[[(1R)-1-pyridin-2-ylethyl]amino]quinazolin-7-yl]-pyrrolidin-1-ylmethanone
SMILESC[C@@H](Nc1nc(N)nc2cc(C(=O)N3CCCC3)ccc12)c1ccccn1
InChIInChI=1S/C20H22N6O/c1-13(16-6-2-3-9-22-16)23-18-15-8-7-14(12-17(15)24-20(21)25-18)19(27)26-10-4-5-11-26/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H3,21,23,24,25)/t13-/m1/s1
InChIKeyAYLQKYRJZBUYOE-CYBMUJFWSA-N
MW362.44 g/mol
LogP3.02
Rot. Bonds4

About [2-amino-4-[[(1R)-1-pyridin-2-ylethyl]amino]quinazolin-7-yl]-pyrrolidin-1-ylmethanone

[2-amino-4-[[(1R)-1-pyridin-2-ylethyl]amino]quinazolin-7-yl]-pyrrolidin-1-ylmethanone (PubChem CID 74767836) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is [2-amino-4-[[(1R)-1-pyridin-2-ylethyl]amino]quinazolin-7-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-amino-4-[[(1R)-1-pyridin-2-ylethyl]amino]quinazolin-7-yl]-pyrrolidin-1-ylmethanone
PubChem CID74767836
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name[2-amino-4-[[(1R)-1-pyridin-2-ylethyl]amino]quinazolin-7-yl]-pyrrolidin-1-ylmethanone
SMILESC[C@@H](Nc1nc(N)nc2cc(C(=O)N3CCCC3)ccc12)c1ccccn1
InChIInChI=1S/C20H22N6O/c1-13(16-6-2-3-9-22-16)23-18-15-8-7-14(12-17(15)24-20(21)25-18)19(27)26-10-4-5-11-26/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H3,21,23,24,25)/t13-/m1/s1
InChIKeyAYLQKYRJZBUYOE-CYBMUJFWSA-N
XLogP3.02
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-amino-4-[[(1R)-1-pyridin-2-ylethyl]amino]quinazolin-7-yl]-pyrrolidin-1-ylmethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-amino-4-[[(1R)-1-pyridin-2-ylethyl]amino]quinazolin-7-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-amino-4-[[(1R)-1-pyridin-2-ylethyl]amino]quinazolin-7-yl]-pyrrolidin-1-ylmethanone (CID 74767836) is [2-amino-4-[[(1R)-1-pyridin-2-ylethyl]amino]quinazolin-7-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-amino-4-[[(1R)-1-pyridin-2-ylethyl]amino]quinazolin-7-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-amino-4-[[(1R)-1-pyridin-2-ylethyl]amino]quinazolin-7-yl]-pyrrolidin-1-ylmethanone is C[C@@H](Nc1nc(N)nc2cc(C(=O)N3CCCC3)ccc12)c1ccccn1.
What is the InChIKey of [2-amino-4-[[(1R)-1-pyridin-2-ylethyl]amino]quinazolin-7-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is AYLQKYRJZBUYOE-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H22N6O/c1-13(16-6-2-3-9-22-16)23-18-15-8-7-14(12-17(15)24-20(21)25-18)19(27)26-10-4-5-11-26/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H3,21,23,24,25)/t13-/m1/s1.
What are the key properties of [2-amino-4-[[(1R)-1-pyridin-2-ylethyl]amino]quinazolin-7-yl]-pyrrolidin-1-ylmethanone?
[2-amino-4-[[(1R)-1-pyridin-2-ylethyl]amino]quinazolin-7-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 362.44 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-[[(1R)-1-pyridin-2-ylethyl]amino]quinazolin-7-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 74767836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).