2-(2-aminoethyl)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-4-amine

C19H19N7O — CID 95135430

IUPAC2-(2-aminoethyl)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-4-amine
SMILESC[C@@H](Nc1nc(CCN)nc2ccccc12)c1nc(-c2cccnc2)no1
InChIInChI=1S/C19H19N7O/c1-12(19-25-17(26-27-19)13-5-4-10-21-11-13)22-18-14-6-2-3-7-15(14)23-16(24-18)8-9-20/h2-7,10-12H,8-9,20H2,1H3,(H,22,23,24)/t12-/m1/s1
InChIKeyYZPZNDBFDCBOCR-GFCCVEGCSA-N
MW361.41 g/mol
LogP2.75
Rot. Bonds6

About 2-(2-aminoethyl)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-4-amine

2-(2-aminoethyl)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-4-amine (PubChem CID 95135430) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-4-amine
PubChem CID95135430
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name2-(2-aminoethyl)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-4-amine
SMILESC[C@@H](Nc1nc(CCN)nc2ccccc12)c1nc(-c2cccnc2)no1
InChIInChI=1S/C19H19N7O/c1-12(19-25-17(26-27-19)13-5-4-10-21-11-13)22-18-14-6-2-3-7-15(14)23-16(24-18)8-9-20/h2-7,10-12H,8-9,20H2,1H3,(H,22,23,24)/t12-/m1/s1
InChIKeyYZPZNDBFDCBOCR-GFCCVEGCSA-N
XLogP2.75
TPSA115.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(2-aminoethyl)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-4-amine with MolForge

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Related Compounds

6-(2-aminoethyl)-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 56714969
N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 62627315
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 8567794
1-methyl-6-propan-2-yl-N-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95718925
N-[(2S)-3-methylbutan-2-yl]-2-pyridin-3-ylquinazolin-4-amine
CID 9111435
2-(2-aminoethyl)-N-[(1S)-1-(3,4,5-trimethoxyphenyl)ethyl]quinazolin-4-amine
CID 95127666
N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 133295619
2-(2-aminoethyl)-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]quinazolin-4-amine
CID 95120809
2-pyridin-3-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine
CID 24508299
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2,2-diphenylacetate
CID 46688129
N-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 126449538
2-pyridin-2-yl-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 99926307

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-4-amine?
The IUPAC name of 2-(2-aminoethyl)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-4-amine (CID 95135430) is 2-(2-aminoethyl)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 2-(2-aminoethyl)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-4-amine?
The canonical SMILES for 2-(2-aminoethyl)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-4-amine is C[C@@H](Nc1nc(CCN)nc2ccccc12)c1nc(-c2cccnc2)no1.
What is the InChIKey of 2-(2-aminoethyl)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-4-amine?
The InChIKey is YZPZNDBFDCBOCR-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H19N7O/c1-12(19-25-17(26-27-19)13-5-4-10-21-11-13)22-18-14-6-2-3-7-15(14)23-16(24-18)8-9-20/h2-7,10-12H,8-9,20H2,1H3,(H,22,23,24)/t12-/m1/s1.
What are the key properties of 2-(2-aminoethyl)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-4-amine?
2-(2-aminoethyl)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-4-amine has a molecular weight of 361.41 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 95135430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).