9-chloro-N-[2-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidin-1-yl]-2-oxoethyl]-5,6,7,8-tetrahydroacridine-3-carboxamide

C30H29Cl2N5O4 — CID 138513091

About 9-chloro-N-[2-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidin-1-yl]-2-oxoethyl]-5,6,7,8-tetrahydroacridine-3-carboxamide

9-chloro-N-[2-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidin-1-yl]-2-oxoethyl]-5,6,7,8-tetrahydroacridine-3-carboxamide (PubChem CID 138513091) has the molecular formula C30H29Cl2N5O4 and a molecular weight of 594.50 g/mol. Its IUPAC name is 9-chloro-N-[2-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidin-1-yl]-2-oxoethyl]-5,6,7,8-tetrahydroacridine-3-carboxamide.

Molecular Properties

• Compound Name: 9-chloro-N-[2-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidin-1-yl]-2-oxoethyl]-5,6,7,8-tetrahydroacridine-3-carboxamide
• PubChem CID: 138513091
• Molecular Formula: C30H29Cl2N5O4
• Molecular Weight: 594.50 g/mol
• Exact Mass: 593.16
• IUPAC Name: 9-chloro-N-[2-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidin-1-yl]-2-oxoethyl]-5,6,7,8-tetrahydroacridine-3-carboxamide
• SMILES: O=C(NCC(=O)N1CCC(O)(Cn2cnc3cc(Cl)ccc3c2=O)CC1)c1ccc2c(Cl)c3c(nc2c1)CCCC3
• InChI: InChI=1S/C30H29Cl2N5O4/c31-19-6-8-22-24(14-19)34-17-37(29(22)40)16-30(41)9-11-36(12-10-30)26(38)15-33-28(39)18-5-7-21-25(13-18)35-23-4-2-1-3-20(23)27(21)32/h5-8,13-14,17,41H,1-4,9-12,15-16H2,(H,33,39)
• InChIKey: QXKCYTPCMPKDHV-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 117.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	594.50
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 9-chloro-N-[2-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidin-1-yl]-2-oxoethyl]-5,6,7,8-tetrahydroacridine-3-carboxamide?

The IUPAC name of 9-chloro-N-[2-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidin-1-yl]-2-oxoethyl]-5,6,7,8-tetrahydroacridine-3-carboxamide (CID 138513091) is 9-chloro-N-[2-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidin-1-yl]-2-oxoethyl]-5,6,7,8-tetrahydroacridine-3-carboxamide.

What is the SMILES notation for 9-chloro-N-[2-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidin-1-yl]-2-oxoethyl]-5,6,7,8-tetrahydroacridine-3-carboxamide?

The canonical SMILES for 9-chloro-N-[2-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidin-1-yl]-2-oxoethyl]-5,6,7,8-tetrahydroacridine-3-carboxamide is O=C(NCC(=O)N1CCC(O)(Cn2cnc3cc(Cl)ccc3c2=O)CC1)c1ccc2c(Cl)c3c(nc2c1)CCCC3.

What is the InChIKey of 9-chloro-N-[2-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidin-1-yl]-2-oxoethyl]-5,6,7,8-tetrahydroacridine-3-carboxamide?

The InChIKey is QXKCYTPCMPKDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29Cl2N5O4/c31-19-6-8-22-24(14-19)34-17-37(29(22)40)16-30(41)9-11-36(12-10-30)26(38)15-33-28(39)18-5-7-21-25(13-18)35-23-4-2-1-3-20(23)27(21)32/h5-8,13-14,17,41H,1-4,9-12,15-16H2,(H,33,39).

What are the key properties of 9-chloro-N-[2-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidin-1-yl]-2-oxoethyl]-5,6,7,8-tetrahydroacridine-3-carboxamide?

9-chloro-N-[2-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidin-1-yl]-2-oxoethyl]-5,6,7,8-tetrahydroacridine-3-carboxamide has a molecular weight of 594.50 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-chloro-N-[2-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidin-1-yl]-2-oxoethyl]-5,6,7,8-tetrahydroacridine-3-carboxamide is sourced from PubChem (CID 138513091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).