6-chloro-7-[(2R)-2-[(3-chloro-2-pyridinyl)oxymethyl]-4-propan-2-ylpyrrolidin-1-yl]-1-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-4-oxoquinoline-3-carboxylic acid

C33H36Cl2N6O4 — CID 156848766

About 6-chloro-7-[(2R)-2-[(3-chloro-2-pyridinyl)oxymethyl]-4-propan-2-ylpyrrolidin-1-yl]-1-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-4-oxoquinoline-3-carboxylic acid

6-chloro-7-[(2R)-2-[(3-chloro-2-pyridinyl)oxymethyl]-4-propan-2-ylpyrrolidin-1-yl]-1-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-4-oxoquinoline-3-carboxylic acid (PubChem CID 156848766) has the molecular formula C33H36Cl2N6O4 and a molecular weight of 651.60 g/mol. Its IUPAC name is 6-chloro-7-[(2R)-2-[(3-chloro-2-pyridinyl)oxymethyl]-4-propan-2-ylpyrrolidin-1-yl]-1-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-chloro-7-[(2R)-2-[(3-chloro-2-pyridinyl)oxymethyl]-4-propan-2-ylpyrrolidin-1-yl]-1-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-4-oxoquinoline-3-carboxylic acid
• PubChem CID: 156848766
• Molecular Formula: C33H36Cl2N6O4
• Molecular Weight: 651.60 g/mol
• Exact Mass: 650.22
• IUPAC Name: 6-chloro-7-[(2R)-2-[(3-chloro-2-pyridinyl)oxymethyl]-4-propan-2-ylpyrrolidin-1-yl]-1-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-4-oxoquinoline-3-carboxylic acid
• SMILES: CC(C)C1C[C@H](COc2ncccc2Cl)N(c2cc3c(cc2Cl)c(=O)c(C(=O)O)cn3-c2ccc(N3CC(N(C)C)C3)nc2)C1
• InChI: InChI=1S/C33H36Cl2N6O4/c1-19(2)20-10-22(18-45-32-26(34)6-5-9-36-32)40(14-20)29-12-28-24(11-27(29)35)31(42)25(33(43)44)17-41(28)21-7-8-30(37-13-21)39-15-23(16-39)38(3)4/h5-9,11-13,17,19-20,22-23H,10,14-16,18H2,1-4H3,(H,43,44)/t20?,22-/m1/s1
• InChIKey: RLIZMWJBEYIPLZ-LWMIZPGFSA-N
• XLogP: 5.47
• TPSA: 104.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.60
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-[(2R)-2-[(3-chloro-2-pyridinyl)oxymethyl]-4-propan-2-ylpyrrolidin-1-yl]-1-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-4-oxoquinoline-3-carboxylic acid?

The IUPAC name of 6-chloro-7-[(2R)-2-[(3-chloro-2-pyridinyl)oxymethyl]-4-propan-2-ylpyrrolidin-1-yl]-1-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-4-oxoquinoline-3-carboxylic acid (CID 156848766) is 6-chloro-7-[(2R)-2-[(3-chloro-2-pyridinyl)oxymethyl]-4-propan-2-ylpyrrolidin-1-yl]-1-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-4-oxoquinoline-3-carboxylic acid.

What is the SMILES notation for 6-chloro-7-[(2R)-2-[(3-chloro-2-pyridinyl)oxymethyl]-4-propan-2-ylpyrrolidin-1-yl]-1-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-4-oxoquinoline-3-carboxylic acid?

The canonical SMILES for 6-chloro-7-[(2R)-2-[(3-chloro-2-pyridinyl)oxymethyl]-4-propan-2-ylpyrrolidin-1-yl]-1-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-4-oxoquinoline-3-carboxylic acid is CC(C)C1C[C@H](COc2ncccc2Cl)N(c2cc3c(cc2Cl)c(=O)c(C(=O)O)cn3-c2ccc(N3CC(N(C)C)C3)nc2)C1.

What is the InChIKey of 6-chloro-7-[(2R)-2-[(3-chloro-2-pyridinyl)oxymethyl]-4-propan-2-ylpyrrolidin-1-yl]-1-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-4-oxoquinoline-3-carboxylic acid?

The InChIKey is RLIZMWJBEYIPLZ-LWMIZPGFSA-N. The full InChI is InChI=1S/C33H36Cl2N6O4/c1-19(2)20-10-22(18-45-32-26(34)6-5-9-36-32)40(14-20)29-12-28-24(11-27(29)35)31(42)25(33(43)44)17-41(28)21-7-8-30(37-13-21)39-15-23(16-39)38(3)4/h5-9,11-13,17,19-20,22-23H,10,14-16,18H2,1-4H3,(H,43,44)/t20?,22-/m1/s1.

What are the key properties of 6-chloro-7-[(2R)-2-[(3-chloro-2-pyridinyl)oxymethyl]-4-propan-2-ylpyrrolidin-1-yl]-1-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-4-oxoquinoline-3-carboxylic acid?

6-chloro-7-[(2R)-2-[(3-chloro-2-pyridinyl)oxymethyl]-4-propan-2-ylpyrrolidin-1-yl]-1-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-4-oxoquinoline-3-carboxylic acid has a molecular weight of 651.60 g/mol, XLogP of 5.47, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-7-[(2R)-2-[(3-chloro-2-pyridinyl)oxymethyl]-4-propan-2-ylpyrrolidin-1-yl]-1-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 156848766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).