N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]-3-pyridin-2-ylpropanamide;molecular hydrogen

C28H33N5O2 — CID 159426749

IUPACN-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]-3-pyridin-2-ylpropanamide;molecular hydrogen
SMILESCc1ccc2c(N3CCC(NC(=O)CCc4ccccn4)CC3)nc(-c3ccccc3O)nc2c1.[H][H].[H][H]
InChIInChI=1S/C28H29N5O2.2H2/c1-19-9-11-22-24(18-19)31-27(23-7-2-3-8-25(23)34)32-28(22)33-16-13-21(14-17-33)30-26(35)12-10-20-6-4-5-15-29-20;;/h2-9,11,15,18,21,34H,10,12-14,16-17H2,1H3,(H,30,35);2*1H
InChIKeyLQLLSDMAYJTHLG-UHFFFAOYSA-N
MW471.61 g/mol
LogP4.92
Rot. Bonds6

About N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]-3-pyridin-2-ylpropanamide;molecular hydrogen

N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]-3-pyridin-2-ylpropanamide;molecular hydrogen (PubChem CID 159426749) has the molecular formula C28H33N5O2 and a molecular weight of 471.61 g/mol. Its IUPAC name is N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]-3-pyridin-2-ylpropanamide;molecular hydrogen.

Molecular Properties

Compound NameN-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]-3-pyridin-2-ylpropanamide;molecular hydrogen
PubChem CID159426749
Molecular FormulaC28H33N5O2
Molecular Weight471.61 g/mol
Exact Mass471.26
IUPAC NameN-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]-3-pyridin-2-ylpropanamide;molecular hydrogen
SMILESCc1ccc2c(N3CCC(NC(=O)CCc4ccccn4)CC3)nc(-c3ccccc3O)nc2c1.[H][H].[H][H]
InChIInChI=1S/C28H29N5O2.2H2/c1-19-9-11-22-24(18-19)31-27(23-7-2-3-8-25(23)34)32-28(22)33-16-13-21(14-17-33)30-26(35)12-10-20-6-4-5-15-29-20;;/h2-9,11,15,18,21,34H,10,12-14,16-17H2,1H3,(H,30,35);2*1H
InChIKeyLQLLSDMAYJTHLG-UHFFFAOYSA-N
XLogP4.92
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.61
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]-3-pyridin-2-ylpropanamide;molecular hydrogen?
The IUPAC name of N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]-3-pyridin-2-ylpropanamide;molecular hydrogen (CID 159426749) is N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]-3-pyridin-2-ylpropanamide;molecular hydrogen.
What is the SMILES notation for N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]-3-pyridin-2-ylpropanamide;molecular hydrogen?
The canonical SMILES for N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]-3-pyridin-2-ylpropanamide;molecular hydrogen is Cc1ccc2c(N3CCC(NC(=O)CCc4ccccn4)CC3)nc(-c3ccccc3O)nc2c1.[H][H].[H][H].
What is the InChIKey of N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]-3-pyridin-2-ylpropanamide;molecular hydrogen?
The InChIKey is LQLLSDMAYJTHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2.2H2/c1-19-9-11-22-24(18-19)31-27(23-7-2-3-8-25(23)34)32-28(22)33-16-13-21(14-17-33)30-26(35)12-10-20-6-4-5-15-29-20;;/h2-9,11,15,18,21,34H,10,12-14,16-17H2,1H3,(H,30,35);2*1H.
What are the key properties of N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]-3-pyridin-2-ylpropanamide;molecular hydrogen?
N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]-3-pyridin-2-ylpropanamide;molecular hydrogen has a molecular weight of 471.61 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]-3-pyridin-2-ylpropanamide;molecular hydrogen is sourced from PubChem (CID 159426749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).