4-chloro-N-[6-(1-formylnaphthalene-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide

C26H19ClN4O3 — CID 11583646

IUPAC4-chloro-N-[6-(1-formylnaphthalene-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
SMILESO=Cc1c(C(=O)N2CCc3nc(NC(=O)c4ccc(Cl)cc4)ncc3C2)ccc2ccccc12
InChIInChI=1S/C26H19ClN4O3/c27-19-8-5-17(6-9-19)24(33)30-26-28-13-18-14-31(12-11-23(18)29-26)25(34)21-10-7-16-3-1-2-4-20(16)22(21)15-32/h1-10,13,15H,11-12,14H2,(H,28,29,30,33)
InChIKeyBKLNNMJUSKHDKU-UHFFFAOYSA-N
MW470.92 g/mol
LogP4.55
Rot. Bonds4

About 4-chloro-N-[6-(1-formylnaphthalene-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide

4-chloro-N-[6-(1-formylnaphthalene-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide (PubChem CID 11583646) has the molecular formula C26H19ClN4O3 and a molecular weight of 470.92 g/mol. Its IUPAC name is 4-chloro-N-[6-(1-formylnaphthalene-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[6-(1-formylnaphthalene-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
PubChem CID11583646
Molecular FormulaC26H19ClN4O3
Molecular Weight470.92 g/mol
Exact Mass470.11
IUPAC Name4-chloro-N-[6-(1-formylnaphthalene-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
SMILESO=Cc1c(C(=O)N2CCc3nc(NC(=O)c4ccc(Cl)cc4)ncc3C2)ccc2ccccc12
InChIInChI=1S/C26H19ClN4O3/c27-19-8-5-17(6-9-19)24(33)30-26-28-13-18-14-31(12-11-23(18)29-26)25(34)21-10-7-16-3-1-2-4-20(16)22(21)15-32/h1-10,13,15H,11-12,14H2,(H,28,29,30,33)
InChIKeyBKLNNMJUSKHDKU-UHFFFAOYSA-N
XLogP4.55
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.92
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-(1-formylnaphthalene-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[6-(1-formylnaphthalene-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide (CID 11583646) is 4-chloro-N-[6-(1-formylnaphthalene-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[6-(1-formylnaphthalene-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[6-(1-formylnaphthalene-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide is O=Cc1c(C(=O)N2CCc3nc(NC(=O)c4ccc(Cl)cc4)ncc3C2)ccc2ccccc12.
What is the InChIKey of 4-chloro-N-[6-(1-formylnaphthalene-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide?
The InChIKey is BKLNNMJUSKHDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN4O3/c27-19-8-5-17(6-9-19)24(33)30-26-28-13-18-14-31(12-11-23(18)29-26)25(34)21-10-7-16-3-1-2-4-20(16)22(21)15-32/h1-10,13,15H,11-12,14H2,(H,28,29,30,33).
What are the key properties of 4-chloro-N-[6-(1-formylnaphthalene-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide?
4-chloro-N-[6-(1-formylnaphthalene-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide has a molecular weight of 470.92 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6-(1-formylnaphthalene-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide is sourced from PubChem (CID 11583646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).