2-[(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)amino]-N-methylpyridine-3-carboxamide

C21H28N6O2 — CID 72905311

IUPAC2-[(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1NC1CC(C)(C)Cc2nc(N3CCOCC3)ncc21
InChIInChI=1S/C21H28N6O2/c1-21(2)11-16(25-18-14(19(28)22-3)5-4-6-23-18)15-13-24-20(26-17(15)12-21)27-7-9-29-10-8-27/h4-6,13,16H,7-12H2,1-3H3,(H,22,28)(H,23,25)
InChIKeyMIRYNRDWVKJDCH-UHFFFAOYSA-N
MW396.50 g/mol
LogP2.19
Rot. Bonds4

About 2-[(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)amino]-N-methylpyridine-3-carboxamide

2-[(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)amino]-N-methylpyridine-3-carboxamide (PubChem CID 72905311) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 2-[(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)amino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)amino]-N-methylpyridine-3-carboxamide
PubChem CID72905311
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC Name2-[(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1NC1CC(C)(C)Cc2nc(N3CCOCC3)ncc21
InChIInChI=1S/C21H28N6O2/c1-21(2)11-16(25-18-14(19(28)22-3)5-4-6-23-18)15-13-24-20(26-17(15)12-21)27-7-9-29-10-8-27/h4-6,13,16H,7-12H2,1-3H3,(H,22,28)(H,23,25)
InChIKeyMIRYNRDWVKJDCH-UHFFFAOYSA-N
XLogP2.19
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)amino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-[(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)amino]-N-methylpyridine-3-carboxamide (CID 72905311) is 2-[(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)amino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)amino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)amino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cccnc1NC1CC(C)(C)Cc2nc(N3CCOCC3)ncc21.
What is the InChIKey of 2-[(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)amino]-N-methylpyridine-3-carboxamide?
The InChIKey is MIRYNRDWVKJDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2/c1-21(2)11-16(25-18-14(19(28)22-3)5-4-6-23-18)15-13-24-20(26-17(15)12-21)27-7-9-29-10-8-27/h4-6,13,16H,7-12H2,1-3H3,(H,22,28)(H,23,25).
What are the key properties of 2-[(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)amino]-N-methylpyridine-3-carboxamide?
2-[(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)amino]-N-methylpyridine-3-carboxamide has a molecular weight of 396.50 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)amino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 72905311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).