3-[2-(3-methoxyphenyl)ethyl]-N-propan-2-yl-2-pyridin-3-yl-4H-quinazoline-7-carboxamide

C26H28N4O2 — CID 45488516

IUPAC3-[2-(3-methoxyphenyl)ethyl]-N-propan-2-yl-2-pyridin-3-yl-4H-quinazoline-7-carboxamide
SMILESCOc1cccc(CCN2Cc3ccc(C(=O)NC(C)C)cc3N=C2c2cccnc2)c1
InChIInChI=1S/C26H28N4O2/c1-18(2)28-26(31)20-9-10-22-17-30(13-11-19-6-4-8-23(14-19)32-3)25(29-24(22)15-20)21-7-5-12-27-16-21/h4-10,12,14-16,18H,11,13,17H2,1-3H3,(H,28,31)
InChIKeyGZHDUNJDWQLNBK-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.36
Rot. Bonds7

About 3-[2-(3-methoxyphenyl)ethyl]-N-propan-2-yl-2-pyridin-3-yl-4H-quinazoline-7-carboxamide

3-[2-(3-methoxyphenyl)ethyl]-N-propan-2-yl-2-pyridin-3-yl-4H-quinazoline-7-carboxamide (PubChem CID 45488516) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 3-[2-(3-methoxyphenyl)ethyl]-N-propan-2-yl-2-pyridin-3-yl-4H-quinazoline-7-carboxamide.

Molecular Properties

Compound Name3-[2-(3-methoxyphenyl)ethyl]-N-propan-2-yl-2-pyridin-3-yl-4H-quinazoline-7-carboxamide
PubChem CID45488516
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name3-[2-(3-methoxyphenyl)ethyl]-N-propan-2-yl-2-pyridin-3-yl-4H-quinazoline-7-carboxamide
SMILESCOc1cccc(CCN2Cc3ccc(C(=O)NC(C)C)cc3N=C2c2cccnc2)c1
InChIInChI=1S/C26H28N4O2/c1-18(2)28-26(31)20-9-10-22-17-30(13-11-19-6-4-8-23(14-19)32-3)25(29-24(22)15-20)21-7-5-12-27-16-21/h4-10,12,14-16,18H,11,13,17H2,1-3H3,(H,28,31)
InChIKeyGZHDUNJDWQLNBK-UHFFFAOYSA-N
XLogP4.36
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxyphenyl)ethyl]-N-propan-2-yl-2-pyridin-3-yl-4H-quinazoline-7-carboxamide?
The IUPAC name of 3-[2-(3-methoxyphenyl)ethyl]-N-propan-2-yl-2-pyridin-3-yl-4H-quinazoline-7-carboxamide (CID 45488516) is 3-[2-(3-methoxyphenyl)ethyl]-N-propan-2-yl-2-pyridin-3-yl-4H-quinazoline-7-carboxamide.
What is the SMILES notation for 3-[2-(3-methoxyphenyl)ethyl]-N-propan-2-yl-2-pyridin-3-yl-4H-quinazoline-7-carboxamide?
The canonical SMILES for 3-[2-(3-methoxyphenyl)ethyl]-N-propan-2-yl-2-pyridin-3-yl-4H-quinazoline-7-carboxamide is COc1cccc(CCN2Cc3ccc(C(=O)NC(C)C)cc3N=C2c2cccnc2)c1.
What is the InChIKey of 3-[2-(3-methoxyphenyl)ethyl]-N-propan-2-yl-2-pyridin-3-yl-4H-quinazoline-7-carboxamide?
The InChIKey is GZHDUNJDWQLNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-18(2)28-26(31)20-9-10-22-17-30(13-11-19-6-4-8-23(14-19)32-3)25(29-24(22)15-20)21-7-5-12-27-16-21/h4-10,12,14-16,18H,11,13,17H2,1-3H3,(H,28,31).
What are the key properties of 3-[2-(3-methoxyphenyl)ethyl]-N-propan-2-yl-2-pyridin-3-yl-4H-quinazoline-7-carboxamide?
3-[2-(3-methoxyphenyl)ethyl]-N-propan-2-yl-2-pyridin-3-yl-4H-quinazoline-7-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methoxyphenyl)ethyl]-N-propan-2-yl-2-pyridin-3-yl-4H-quinazoline-7-carboxamide is sourced from PubChem (CID 45488516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).