1-(2-methylpropyl)-N-(7-pyrazin-2-ylquinazolin-2-yl)azepane-4-carboxamide

C23H28N6O — CID 138586722

IUPAC1-(2-methylpropyl)-N-(7-pyrazin-2-ylquinazolin-2-yl)azepane-4-carboxamide
SMILESCC(C)CN1CCCC(C(=O)Nc2ncc3ccc(-c4cnccn4)cc3n2)CC1
InChIInChI=1S/C23H28N6O/c1-16(2)15-29-10-3-4-17(7-11-29)22(30)28-23-26-13-19-6-5-18(12-20(19)27-23)21-14-24-8-9-25-21/h5-6,8-9,12-14,16-17H,3-4,7,10-11,15H2,1-2H3,(H,26,27,28,30)
InChIKeyRUKIITLYQDLRFL-UHFFFAOYSA-N
MW404.52 g/mol
LogP3.78
Rot. Bonds5

About 1-(2-methylpropyl)-N-(7-pyrazin-2-ylquinazolin-2-yl)azepane-4-carboxamide

1-(2-methylpropyl)-N-(7-pyrazin-2-ylquinazolin-2-yl)azepane-4-carboxamide (PubChem CID 138586722) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N-(7-pyrazin-2-ylquinazolin-2-yl)azepane-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropyl)-N-(7-pyrazin-2-ylquinazolin-2-yl)azepane-4-carboxamide
PubChem CID138586722
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name1-(2-methylpropyl)-N-(7-pyrazin-2-ylquinazolin-2-yl)azepane-4-carboxamide
SMILESCC(C)CN1CCCC(C(=O)Nc2ncc3ccc(-c4cnccn4)cc3n2)CC1
InChIInChI=1S/C23H28N6O/c1-16(2)15-29-10-3-4-17(7-11-29)22(30)28-23-26-13-19-6-5-18(12-20(19)27-23)21-14-24-8-9-25-21/h5-6,8-9,12-14,16-17H,3-4,7,10-11,15H2,1-2H3,(H,26,27,28,30)
InChIKeyRUKIITLYQDLRFL-UHFFFAOYSA-N
XLogP3.78
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide
CID 138590403
1-(2-fluoroethyl)-N-(6-pyrazin-2-ylisoquinolin-3-yl)piperidine-4-carboxamide
CID 138586292
N-[7-(1-cyclopropylpyrazol-4-yl)quinazolin-2-yl]-1-(2,3,3-trifluoropropyl)piperidine-4-carboxamide
CID 154965834
1-(2-methylpropyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-3-carboxamide
CID 138588767
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1,6-naphthyridin-7-yl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 138588276
1-(2-methylpropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]azepane-4-carboxamide
CID 138588754
N-isoquinolin-3-yl-1-(2-methylpropyl)piperidine-4-carboxamide
CID 166280089
N-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 138587014
N-[7-(5-cyano-3-pyridinyl)quinazolin-2-yl]-1-methylpiperidine-4-carboxamide
CID 138587041
N-[7-[5-[cyano-(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]quinazolin-2-yl]cyclopropanecarboxamide
CID 138587069
1-(2-methylpropyl)-N-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 168926332
1-(2-fluoropropyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide
CID 138586986

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-N-(7-pyrazin-2-ylquinazolin-2-yl)azepane-4-carboxamide?
The IUPAC name of 1-(2-methylpropyl)-N-(7-pyrazin-2-ylquinazolin-2-yl)azepane-4-carboxamide (CID 138586722) is 1-(2-methylpropyl)-N-(7-pyrazin-2-ylquinazolin-2-yl)azepane-4-carboxamide.
What is the SMILES notation for 1-(2-methylpropyl)-N-(7-pyrazin-2-ylquinazolin-2-yl)azepane-4-carboxamide?
The canonical SMILES for 1-(2-methylpropyl)-N-(7-pyrazin-2-ylquinazolin-2-yl)azepane-4-carboxamide is CC(C)CN1CCCC(C(=O)Nc2ncc3ccc(-c4cnccn4)cc3n2)CC1.
What is the InChIKey of 1-(2-methylpropyl)-N-(7-pyrazin-2-ylquinazolin-2-yl)azepane-4-carboxamide?
The InChIKey is RUKIITLYQDLRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-16(2)15-29-10-3-4-17(7-11-29)22(30)28-23-26-13-19-6-5-18(12-20(19)27-23)21-14-24-8-9-25-21/h5-6,8-9,12-14,16-17H,3-4,7,10-11,15H2,1-2H3,(H,26,27,28,30).
What are the key properties of 1-(2-methylpropyl)-N-(7-pyrazin-2-ylquinazolin-2-yl)azepane-4-carboxamide?
1-(2-methylpropyl)-N-(7-pyrazin-2-ylquinazolin-2-yl)azepane-4-carboxamide has a molecular weight of 404.52 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-N-(7-pyrazin-2-ylquinazolin-2-yl)azepane-4-carboxamide is sourced from PubChem (CID 138586722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).