N-[2-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-5-(2-hydroxyethoxy)-3-pyridinyl]-2-methyl-N-piperidin-4-ylpropanamide

C26H33N5O6 — CID 137051730

IUPACN-[2-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-5-(2-hydroxyethoxy)-3-pyridinyl]-2-methyl-N-piperidin-4-ylpropanamide
SMILESCOc1cc(OC)c2c(=O)[nH]c(-c3ncc(OCCO)cc3N(C(=O)C(C)C)C3CCNCC3)nc2c1
InChIInChI=1S/C26H33N5O6/c1-15(2)26(34)31(16-5-7-27-8-6-16)20-12-18(37-10-9-32)14-28-23(20)24-29-19-11-17(35-3)13-21(36-4)22(19)25(33)30-24/h11-16,27,32H,5-10H2,1-4H3,(H,29,30,33)
InChIKeyALIHZJABPYOMLS-UHFFFAOYSA-N
MW511.58 g/mol
LogP2.11
Rot. Bonds9

About N-[2-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-5-(2-hydroxyethoxy)-3-pyridinyl]-2-methyl-N-piperidin-4-ylpropanamide

N-[2-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-5-(2-hydroxyethoxy)-3-pyridinyl]-2-methyl-N-piperidin-4-ylpropanamide (PubChem CID 137051730) has the molecular formula C26H33N5O6 and a molecular weight of 511.58 g/mol. Its IUPAC name is N-[2-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-5-(2-hydroxyethoxy)-3-pyridinyl]-2-methyl-N-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-[2-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-5-(2-hydroxyethoxy)-3-pyridinyl]-2-methyl-N-piperidin-4-ylpropanamide
PubChem CID137051730
Molecular FormulaC26H33N5O6
Molecular Weight511.58 g/mol
Exact Mass511.24
IUPAC NameN-[2-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-5-(2-hydroxyethoxy)-3-pyridinyl]-2-methyl-N-piperidin-4-ylpropanamide
SMILESCOc1cc(OC)c2c(=O)[nH]c(-c3ncc(OCCO)cc3N(C(=O)C(C)C)C3CCNCC3)nc2c1
InChIInChI=1S/C26H33N5O6/c1-15(2)26(34)31(16-5-7-27-8-6-16)20-12-18(37-10-9-32)14-28-23(20)24-29-19-11-17(35-3)13-21(36-4)22(19)25(33)30-24/h11-16,27,32H,5-10H2,1-4H3,(H,29,30,33)
InChIKeyALIHZJABPYOMLS-UHFFFAOYSA-N
XLogP2.11
TPSA138.90 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.58
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-5-(2-hydroxyethoxy)-3-pyridinyl]-2-methyl-N-piperidin-4-ylpropanamide?
The IUPAC name of N-[2-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-5-(2-hydroxyethoxy)-3-pyridinyl]-2-methyl-N-piperidin-4-ylpropanamide (CID 137051730) is N-[2-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-5-(2-hydroxyethoxy)-3-pyridinyl]-2-methyl-N-piperidin-4-ylpropanamide.
What is the SMILES notation for N-[2-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-5-(2-hydroxyethoxy)-3-pyridinyl]-2-methyl-N-piperidin-4-ylpropanamide?
The canonical SMILES for N-[2-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-5-(2-hydroxyethoxy)-3-pyridinyl]-2-methyl-N-piperidin-4-ylpropanamide is COc1cc(OC)c2c(=O)[nH]c(-c3ncc(OCCO)cc3N(C(=O)C(C)C)C3CCNCC3)nc2c1.
What is the InChIKey of N-[2-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-5-(2-hydroxyethoxy)-3-pyridinyl]-2-methyl-N-piperidin-4-ylpropanamide?
The InChIKey is ALIHZJABPYOMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O6/c1-15(2)26(34)31(16-5-7-27-8-6-16)20-12-18(37-10-9-32)14-28-23(20)24-29-19-11-17(35-3)13-21(36-4)22(19)25(33)30-24/h11-16,27,32H,5-10H2,1-4H3,(H,29,30,33).
What are the key properties of N-[2-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-5-(2-hydroxyethoxy)-3-pyridinyl]-2-methyl-N-piperidin-4-ylpropanamide?
N-[2-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-5-(2-hydroxyethoxy)-3-pyridinyl]-2-methyl-N-piperidin-4-ylpropanamide has a molecular weight of 511.58 g/mol, XLogP of 2.11, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-5-(2-hydroxyethoxy)-3-pyridinyl]-2-methyl-N-piperidin-4-ylpropanamide is sourced from PubChem (CID 137051730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).