N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1H-pyrazole-4-carboxamide

C18H24N6O2 — CID 42302158

IUPACN-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1H-pyrazole-4-carboxamide
SMILESCC1(C)Cc2nc(N3CCOCC3)ncc2[C@H](NC(=O)c2cn[nH]c2)C1
InChIInChI=1S/C18H24N6O2/c1-18(2)7-14(22-16(25)12-9-20-21-10-12)13-11-19-17(23-15(13)8-18)24-3-5-26-6-4-24/h9-11,14H,3-8H2,1-2H3,(H,20,21)(H,22,25)/t14-/m1/s1
InChIKeyKEAFNQZYFCTOKK-CQSZACIVSA-N
MW356.43 g/mol
LogP1.48
Rot. Bonds3

About N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1H-pyrazole-4-carboxamide

N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1H-pyrazole-4-carboxamide (PubChem CID 42302158) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1H-pyrazole-4-carboxamide
PubChem CID42302158
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC NameN-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1H-pyrazole-4-carboxamide
SMILESCC1(C)Cc2nc(N3CCOCC3)ncc2[C@H](NC(=O)c2cn[nH]c2)C1
InChIInChI=1S/C18H24N6O2/c1-18(2)7-14(22-16(25)12-9-20-21-10-12)13-11-19-17(23-15(13)8-18)24-3-5-26-6-4-24/h9-11,14H,3-8H2,1-2H3,(H,20,21)(H,22,25)/t14-/m1/s1
InChIKeyKEAFNQZYFCTOKK-CQSZACIVSA-N
XLogP1.48
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1H-pyrazole-4-carboxamide (CID 42302158) is N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1H-pyrazole-4-carboxamide is CC1(C)Cc2nc(N3CCOCC3)ncc2[C@H](NC(=O)c2cn[nH]c2)C1.
What is the InChIKey of N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is KEAFNQZYFCTOKK-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-18(2)7-14(22-16(25)12-9-20-21-10-12)13-11-19-17(23-15(13)8-18)24-3-5-26-6-4-24/h9-11,14H,3-8H2,1-2H3,(H,20,21)(H,22,25)/t14-/m1/s1.
What are the key properties of N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1H-pyrazole-4-carboxamide?
N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 42302158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).