5-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]-N-methylpyridine-2-carboxamide

C26H26N6O2 — CID 163290818

IUPAC5-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc3cnc(Nc4cc5c(cc4OC)CCN(C)C5)nc3c2)cn1
InChIInChI=1S/C26H26N6O2/c1-27-25(33)21-7-6-18(13-28-21)16-4-5-19-14-29-26(30-22(19)10-16)31-23-11-20-15-32(2)9-8-17(20)12-24(23)34-3/h4-7,10-14H,8-9,15H2,1-3H3,(H,27,33)(H,29,30,31)
InChIKeyIRHXBHPQHWMARF-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.79
Rot. Bonds5

About 5-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]-N-methylpyridine-2-carboxamide

5-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]-N-methylpyridine-2-carboxamide (PubChem CID 163290818) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 5-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]-N-methylpyridine-2-carboxamide
PubChem CID163290818
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC Name5-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc3cnc(Nc4cc5c(cc4OC)CCN(C)C5)nc3c2)cn1
InChIInChI=1S/C26H26N6O2/c1-27-25(33)21-7-6-18(13-28-21)16-4-5-19-14-29-26(30-22(19)10-16)31-23-11-20-15-32(2)9-8-17(20)12-24(23)34-3/h4-7,10-14H,8-9,15H2,1-3H3,(H,27,33)(H,29,30,31)
InChIKeyIRHXBHPQHWMARF-UHFFFAOYSA-N
XLogP3.79
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

4-Anilino-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide
CID 155883039
N-(3-imidazol-1-ylpropyl)-8-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide
CID 4055067
N-(5-cyclohexyl-2-methoxyphenyl)-4-methyl-3-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)benzamide
CID 16108991
4-methyl-3-(2-(methylamino)quinazolin-6-yl)-N-(2-(1-methylpiperidin-4-yloxy)-5-(trifluoromethyl)phenyl)benzamide
CID 16086104
N-methyl-4-[2-(4-propan-2-ylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide
CID 57394290
2-amino-N-[(6-cyclobutyl-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide
CID 122444916
2-amino-8-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide
CID 122444920
2-amino-8-methoxy-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
CID 122444945
2-amino-8-methoxy-N-[(6-propan-2-yl-2-pyridinyl)methyl]quinazoline-4-carboxamide
CID 122444963
2-amino-N-(quinolin-8-ylmethyl)-8-(trifluoromethoxy)quinazoline-4-carboxamide
CID 122444974
2-amino-8-methoxy-N-[(6-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide
CID 122444996
4-(2-tert-butylanilino)-2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimidine-5-carboxamide
CID 163291143

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]-N-methylpyridine-2-carboxamide (CID 163290818) is 5-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(-c2ccc3cnc(Nc4cc5c(cc4OC)CCN(C)C5)nc3c2)cn1.
What is the InChIKey of 5-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is IRHXBHPQHWMARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c1-27-25(33)21-7-6-18(13-28-21)16-4-5-19-14-29-26(30-22(19)10-16)31-23-11-20-15-32(2)9-8-17(20)12-24(23)34-3/h4-7,10-14H,8-9,15H2,1-3H3,(H,27,33)(H,29,30,31).
What are the key properties of 5-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]-N-methylpyridine-2-carboxamide?
5-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 163290818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).