N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-methylpyrazole-3-carboxamide

C19H26N6O2 — CID 45172400

IUPACN-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1CC(C)(C)Cc2nc(N3CCOCC3)ncc21
InChIInChI=1S/C19H26N6O2/c1-19(2)10-14(22-17(26)16-4-5-21-24(16)3)13-12-20-18(23-15(13)11-19)25-6-8-27-9-7-25/h4-5,12,14H,6-11H2,1-3H3,(H,22,26)
InChIKeyHLWXMXLRZYNPSG-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.49
Rot. Bonds3

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

N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-methylpyrazole-3-carboxamide (PubChem CID 45172400) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-methylpyrazole-3-carboxamide
PubChem CID45172400
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC NameN-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1CC(C)(C)Cc2nc(N3CCOCC3)ncc21
InChIInChI=1S/C19H26N6O2/c1-19(2)10-14(22-17(26)16-4-5-21-24(16)3)13-12-20-18(23-15(13)11-19)25-6-8-27-9-7-25/h4-5,12,14H,6-11H2,1-3H3,(H,22,26)
InChIKeyHLWXMXLRZYNPSG-UHFFFAOYSA-N
XLogP1.49
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-methylpyrazole-3-carboxamide (CID 45172400) is N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NC1CC(C)(C)Cc2nc(N3CCOCC3)ncc21.
What is the InChIKey of N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-methylpyrazole-3-carboxamide?
The InChIKey is HLWXMXLRZYNPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-19(2)10-14(22-17(26)16-4-5-21-24(16)3)13-12-20-18(23-15(13)11-19)25-6-8-27-9-7-25/h4-5,12,14H,6-11H2,1-3H3,(H,22,26).
What are the key properties of N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-methylpyrazole-3-carboxamide?
N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-methylpyrazole-3-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 45172400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).