5-[4-[[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]amino]quinazolin-6-yl]-2-methoxypyridine-3-carbonitrile

C22H24N6O2 — CID 155527272

IUPAC5-[4-[[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]amino]quinazolin-6-yl]-2-methoxypyridine-3-carbonitrile
SMILESCOc1ncc(-c2ccc3ncnc(N[C@H]4CCCN(CCO)C4)c3c2)cc1C#N
InChIInChI=1S/C22H24N6O2/c1-30-22-16(11-23)9-17(12-24-22)15-4-5-20-19(10-15)21(26-14-25-20)27-18-3-2-6-28(13-18)7-8-29/h4-5,9-10,12,14,18,29H,2-3,6-8,13H2,1H3,(H,25,26,27)/t18-/m0/s1
InChIKeyUHWXFKHHNZEFAK-SFHVURJKSA-N
MW404.47 g/mol
LogP2.44
Rot. Bonds6

About 5-[4-[[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]amino]quinazolin-6-yl]-2-methoxypyridine-3-carbonitrile

5-[4-[[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]amino]quinazolin-6-yl]-2-methoxypyridine-3-carbonitrile (PubChem CID 155527272) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 5-[4-[[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]amino]quinazolin-6-yl]-2-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[4-[[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]amino]quinazolin-6-yl]-2-methoxypyridine-3-carbonitrile
PubChem CID155527272
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name5-[4-[[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]amino]quinazolin-6-yl]-2-methoxypyridine-3-carbonitrile
SMILESCOc1ncc(-c2ccc3ncnc(N[C@H]4CCCN(CCO)C4)c3c2)cc1C#N
InChIInChI=1S/C22H24N6O2/c1-30-22-16(11-23)9-17(12-24-22)15-4-5-20-19(10-15)21(26-14-25-20)27-18-3-2-6-28(13-18)7-8-29/h4-5,9-10,12,14,18,29H,2-3,6-8,13H2,1H3,(H,25,26,27)/t18-/m0/s1
InChIKeyUHWXFKHHNZEFAK-SFHVURJKSA-N
XLogP2.44
TPSA107.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[4-[[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]amino]quinazolin-6-yl]-2-methoxypyridine-3-carbonitrile with MolForge

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Related Compounds

4-amino-6-[[(1S)-1-(6-fluoro-4-methoxy-3-phenylquinolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 49872831
N-[2-methoxy-5-[4-(piperidin-4-ylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide
CID 155528302
2-methoxy-5-[4-[[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]amino]quinazolin-6-yl]pyridine-3-carbonitrile
CID 155533050
N-[5-[4-[(1-acetylpiperidin-4-yl)amino]quinazolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 155539520
(R)-1-(6-Methoxyquinolin-4-yl)-2-{4-[(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-ylmethyl)amino]piperidin-1-yl}ethanol
CID 10204096
5-[(8-Methoxy-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine
CID 23323035
5-[(8-Methoxy-2,4-dimethylquinolin-6-yl)methyl]pyrimidine-2,4-diamine
CID 23323062
3-(6-Methoxy-3-pyridyl)-5-(6-quinolyl)pyridin-2-amine
CID 53312320
N-[2-methoxy-5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]methanesulfonamide
CID 57545852
methyl N-[1-[2-[3-(2-methoxy-3-pyridinyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]carbamate
CID 70643905
2-methoxy-5-[4-[[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]amino]quinazolin-6-yl]pyridine-3-carbonitrile
CID 141419885
2,4-difluoro-N-[2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 145967651

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]amino]quinazolin-6-yl]-2-methoxypyridine-3-carbonitrile?
The IUPAC name of 5-[4-[[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]amino]quinazolin-6-yl]-2-methoxypyridine-3-carbonitrile (CID 155527272) is 5-[4-[[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]amino]quinazolin-6-yl]-2-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 5-[4-[[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]amino]quinazolin-6-yl]-2-methoxypyridine-3-carbonitrile?
The canonical SMILES for 5-[4-[[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]amino]quinazolin-6-yl]-2-methoxypyridine-3-carbonitrile is COc1ncc(-c2ccc3ncnc(N[C@H]4CCCN(CCO)C4)c3c2)cc1C#N.
What is the InChIKey of 5-[4-[[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]amino]quinazolin-6-yl]-2-methoxypyridine-3-carbonitrile?
The InChIKey is UHWXFKHHNZEFAK-SFHVURJKSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-30-22-16(11-23)9-17(12-24-22)15-4-5-20-19(10-15)21(26-14-25-20)27-18-3-2-6-28(13-18)7-8-29/h4-5,9-10,12,14,18,29H,2-3,6-8,13H2,1H3,(H,25,26,27)/t18-/m0/s1.
What are the key properties of 5-[4-[[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]amino]quinazolin-6-yl]-2-methoxypyridine-3-carbonitrile?
5-[4-[[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]amino]quinazolin-6-yl]-2-methoxypyridine-3-carbonitrile has a molecular weight of 404.47 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]amino]quinazolin-6-yl]-2-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 155527272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).