N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide

C21H20N8O2 — CID 138590730

IUPACN-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
SMILESCn1cc(-c2ccc3cnc(NC(=O)c4ccnc(N5CCOCC5)c4)nc3c2)nn1
InChIInChI=1S/C21H20N8O2/c1-28-13-18(26-27-28)14-2-3-16-12-23-21(24-17(16)10-14)25-20(30)15-4-5-22-19(11-15)29-6-8-31-9-7-29/h2-5,10-13H,6-9H2,1H3,(H,23,24,25,30)
InChIKeyIULFXKWIROCERS-UHFFFAOYSA-N
MW416.45 g/mol
LogP1.91
Rot. Bonds4

About N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide

N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide (PubChem CID 138590730) has the molecular formula C21H20N8O2 and a molecular weight of 416.45 g/mol. Its IUPAC name is N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
PubChem CID138590730
Molecular FormulaC21H20N8O2
Molecular Weight416.45 g/mol
Exact Mass416.17
IUPAC NameN-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
SMILESCn1cc(-c2ccc3cnc(NC(=O)c4ccnc(N5CCOCC5)c4)nc3c2)nn1
InChIInChI=1S/C21H20N8O2/c1-28-13-18(26-27-28)14-2-3-16-12-23-21(24-17(16)10-14)25-20(30)15-4-5-22-19(11-15)29-6-8-31-9-7-29/h2-5,10-13H,6-9H2,1H3,(H,23,24,25,30)
InChIKeyIULFXKWIROCERS-UHFFFAOYSA-N
XLogP1.91
TPSA110.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-(4-methylpiperazin-1-yl)-N-(7-pyridin-2-ylquinazolin-2-yl)pyridine-4-carboxamide
CID 138587517
2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone
CID 153226798
N-[7-(6-amino-3-pyridinyl)quinazolin-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138588126
N-[7-(2-chloro-1,3-thiazol-5-yl)quinazolin-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138604939
2-(2,7-diazaspiro[3.5]nonan-7-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138588324
N-[7-(5-fluoro-3-pyridinyl)quinazolin-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138590461
2-[4-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138588228
N-[7-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]quinazolin-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138589079
2-(4-methylpiperazin-1-yl)-N-[7-[5-(propan-2-ylamino)-3-pyridinyl]quinazolin-2-yl]pyridine-4-carboxamide
CID 138590574
2-(4-methylpiperazin-1-yl)-N-[7-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138589711
N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide
CID 138590816
2-(2,7-diazaspiro[3.5]nonan-7-yl)-N-[7-(1-methyltriazol-4-yl)naphthalen-2-yl]pyridine-4-carboxamide
CID 134575921

Frequently Asked Questions

What is the IUPAC name of N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide?
The IUPAC name of N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide (CID 138590730) is N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide?
The canonical SMILES for N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide is Cn1cc(-c2ccc3cnc(NC(=O)c4ccnc(N5CCOCC5)c4)nc3c2)nn1.
What is the InChIKey of N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide?
The InChIKey is IULFXKWIROCERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O2/c1-28-13-18(26-27-28)14-2-3-16-12-23-21(24-17(16)10-14)25-20(30)15-4-5-22-19(11-15)29-6-8-31-9-7-29/h2-5,10-13H,6-9H2,1H3,(H,23,24,25,30).
What are the key properties of N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide?
N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide has a molecular weight of 416.45 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide is sourced from PubChem (CID 138590730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).