6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(3-methoxy-2-pyridinyl)-N-methylquinazoline-4-carboxamide

C23H23ClN6O2 — CID 164767415

IUPAC6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(3-methoxy-2-pyridinyl)-N-methylquinazoline-4-carboxamide
SMILESCCn1ncc(CN(C)C(=O)c2nc(-c3ncccc3OC)nc3ccc(Cl)cc23)c1C
InChIInChI=1S/C23H23ClN6O2/c1-5-30-14(2)15(12-26-30)13-29(3)23(31)20-17-11-16(24)8-9-18(17)27-22(28-20)21-19(32-4)7-6-10-25-21/h6-12H,5,13H2,1-4H3
InChIKeyHLWGPQOJMNYDNH-UHFFFAOYSA-N
MW450.93 g/mol
LogP4.15
Rot. Bonds6

About 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(3-methoxy-2-pyridinyl)-N-methylquinazoline-4-carboxamide

6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(3-methoxy-2-pyridinyl)-N-methylquinazoline-4-carboxamide (PubChem CID 164767415) has the molecular formula C23H23ClN6O2 and a molecular weight of 450.93 g/mol. Its IUPAC name is 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(3-methoxy-2-pyridinyl)-N-methylquinazoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(3-methoxy-2-pyridinyl)-N-methylquinazoline-4-carboxamide
PubChem CID164767415
Molecular FormulaC23H23ClN6O2
Molecular Weight450.93 g/mol
Exact Mass450.16
IUPAC Name6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(3-methoxy-2-pyridinyl)-N-methylquinazoline-4-carboxamide
SMILESCCn1ncc(CN(C)C(=O)c2nc(-c3ncccc3OC)nc3ccc(Cl)cc23)c1C
InChIInChI=1S/C23H23ClN6O2/c1-5-30-14(2)15(12-26-30)13-29(3)23(31)20-17-11-16(24)8-9-18(17)27-22(28-20)21-19(32-4)7-6-10-25-21/h6-12H,5,13H2,1-4H3
InChIKeyHLWGPQOJMNYDNH-UHFFFAOYSA-N
XLogP4.15
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(3-methoxy-2-pyridinyl)-N-methylquinazoline-4-carboxamide?
The IUPAC name of 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(3-methoxy-2-pyridinyl)-N-methylquinazoline-4-carboxamide (CID 164767415) is 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(3-methoxy-2-pyridinyl)-N-methylquinazoline-4-carboxamide.
What is the SMILES notation for 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(3-methoxy-2-pyridinyl)-N-methylquinazoline-4-carboxamide?
The canonical SMILES for 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(3-methoxy-2-pyridinyl)-N-methylquinazoline-4-carboxamide is CCn1ncc(CN(C)C(=O)c2nc(-c3ncccc3OC)nc3ccc(Cl)cc23)c1C.
What is the InChIKey of 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(3-methoxy-2-pyridinyl)-N-methylquinazoline-4-carboxamide?
The InChIKey is HLWGPQOJMNYDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O2/c1-5-30-14(2)15(12-26-30)13-29(3)23(31)20-17-11-16(24)8-9-18(17)27-22(28-20)21-19(32-4)7-6-10-25-21/h6-12H,5,13H2,1-4H3.
What are the key properties of 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(3-methoxy-2-pyridinyl)-N-methylquinazoline-4-carboxamide?
6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(3-methoxy-2-pyridinyl)-N-methylquinazoline-4-carboxamide has a molecular weight of 450.93 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(3-methoxy-2-pyridinyl)-N-methylquinazoline-4-carboxamide is sourced from PubChem (CID 164767415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).