N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1,5-dimethylpyrazole-3-carboxamide

C20H28N6O2 — CID 26390488

IUPACN-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)nn1C
InChIInChI=1S/C20H28N6O2/c1-13-9-15(24-25(13)4)18(27)22-16-10-20(2,3)11-17-14(16)12-21-19(23-17)26-5-7-28-8-6-26/h9,12,16H,5-8,10-11H2,1-4H3,(H,22,27)/t16-/m1/s1
InChIKeyISGQOAALPKZHNL-MRXNPFEDSA-N
MW384.48 g/mol
LogP1.80
Rot. Bonds3

About N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1,5-dimethylpyrazole-3-carboxamide

N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 26390488) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID26390488
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC NameN-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)nn1C
InChIInChI=1S/C20H28N6O2/c1-13-9-15(24-25(13)4)18(27)22-16-10-20(2,3)11-17-14(16)12-21-19(23-17)26-5-7-28-8-6-26/h9,12,16H,5-8,10-11H2,1-4H3,(H,22,27)/t16-/m1/s1
InChIKeyISGQOAALPKZHNL-MRXNPFEDSA-N
XLogP1.80
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1,5-dimethylpyrazole-3-carboxamide (CID 26390488) is N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)N[C@@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)nn1C.
What is the InChIKey of N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is ISGQOAALPKZHNL-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-13-9-15(24-25(13)4)18(27)22-16-10-20(2,3)11-17-14(16)12-21-19(23-17)26-5-7-28-8-6-26/h9,12,16H,5-8,10-11H2,1-4H3,(H,22,27)/t16-/m1/s1.
What are the key properties of N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1,5-dimethylpyrazole-3-carboxamide?
N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 7 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]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 26390488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).