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

C20H22N6O — CID 123632803

IUPAC[2-amino-4-(1-pyridin-2-ylethylamino)quinazolin-7-yl]-pyrrolidin-1-ylmethanone
SMILESCC(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)
InChIKeyAYLQKYRJZBUYOE-UHFFFAOYSA-N
MW362.44 g/mol
LogP3.02
Rot. Bonds4

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

[2-amino-4-(1-pyridin-2-ylethylamino)quinazolin-7-yl]-pyrrolidin-1-ylmethanone (PubChem CID 123632803) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is [2-amino-4-(1-pyridin-2-ylethylamino)quinazolin-7-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-amino-4-(1-pyridin-2-ylethylamino)quinazolin-7-yl]-pyrrolidin-1-ylmethanone
PubChem CID123632803
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name[2-amino-4-(1-pyridin-2-ylethylamino)quinazolin-7-yl]-pyrrolidin-1-ylmethanone
SMILESCC(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)
InChIKeyAYLQKYRJZBUYOE-UHFFFAOYSA-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-(1-pyridin-2-ylethylamino)quinazolin-7-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

[2-amino-4-[[(1R)-1-pyridin-2-ylethyl]amino]quinazolin-7-yl]-pyrrolidin-1-ylmethanone
CID 74767836
[5-chloro-6-(1-pyridin-2-ylethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 138999377
[2-amino-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]quinazolin-5-yl]methanol;[2-amino-4-[[(1R)-1-pyridin-2-ylethyl]amino]quinazolin-7-yl]-pyrrolidin-1-ylmethanone;8-fluoro-5-(2-methoxyethoxy)-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazoline-2,4-diamine;8-fluoro-5-methoxy-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazoline-2,4-diamine;5-(2-methoxyethoxy)-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazoline-2,4-diamine
CID 160958015
azepan-1-yl-[3-nitro-4-(1-pyridin-2-ylethylamino)phenyl]methanone
CID 51124562
azetidin-1-yl-[3-nitro-4-[[(1R)-1-pyridin-2-ylethyl]amino]phenyl]methanone
CID 95044302
8-fluoro-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine
CID 118423308
4-N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324894
N-(1-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 113221669
ethane;methoxymethane;[6-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 142540425
(4-methylpiperidin-1-yl)-[3-nitro-4-(1-pyridin-2-ylethylamino)phenyl]methanone
CID 51124570
[2-[1-(6-methyl-2-pyridinyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 135089846
1-piperidin-1-yl-2-(1-pyridin-2-ylethylamino)ethanone
CID 43396900

Frequently Asked Questions

What is the IUPAC name of [2-amino-4-(1-pyridin-2-ylethylamino)quinazolin-7-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-amino-4-(1-pyridin-2-ylethylamino)quinazolin-7-yl]-pyrrolidin-1-ylmethanone (CID 123632803) is [2-amino-4-(1-pyridin-2-ylethylamino)quinazolin-7-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-amino-4-(1-pyridin-2-ylethylamino)quinazolin-7-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-amino-4-(1-pyridin-2-ylethylamino)quinazolin-7-yl]-pyrrolidin-1-ylmethanone is CC(Nc1nc(N)nc2cc(C(=O)N3CCCC3)ccc12)c1ccccn1.
What is the InChIKey of [2-amino-4-(1-pyridin-2-ylethylamino)quinazolin-7-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is AYLQKYRJZBUYOE-UHFFFAOYSA-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).
What are the key properties of [2-amino-4-(1-pyridin-2-ylethylamino)quinazolin-7-yl]-pyrrolidin-1-ylmethanone?
[2-amino-4-(1-pyridin-2-ylethylamino)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-(1-pyridin-2-ylethylamino)quinazolin-7-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 123632803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).