(2R)-8-chloro-1-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-2-methyl-2H-quinoline

C30H21ClNO2P — CID 102320522

About (2R)-8-chloro-1-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-2-methyl-2H-quinoline

(2R)-8-chloro-1-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-2-methyl-2H-quinoline (PubChem CID 102320522) has the molecular formula C30H21ClNO2P and a molecular weight of 493.93 g/mol. Its IUPAC name is (2R)-8-chloro-1-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-2-methyl-2H-quinoline.

Molecular Properties

• Compound Name: (2R)-8-chloro-1-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-2-methyl-2H-quinoline
• PubChem CID: 102320522
• Molecular Formula: C30H21ClNO2P
• Molecular Weight: 493.93 g/mol
• Exact Mass: 493.10
• IUPAC Name: (2R)-8-chloro-1-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-2-methyl-2H-quinoline
• SMILES: C[C@@H]1C=Cc2cccc(Cl)c2N1p1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1
• InChI: InChI=1S/C30H21ClNO2P/c1-19-13-14-22-9-6-12-25(31)30(22)32(19)35-33-26-17-15-20-7-2-4-10-23(20)28(26)29-24-11-5-3-8-21(24)16-18-27(29)34-35/h2-19H,1H3/t19-/m1/s1
• InChIKey: CQYNYOUKADUSED-LJQANCHMSA-N
• XLogP: 9.93
• TPSA: 29.52 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.93
LogP ≤ 5	9.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R)-8-chloro-1-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-2-methyl-2H-quinoline?

The IUPAC name of (2R)-8-chloro-1-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-2-methyl-2H-quinoline (CID 102320522) is (2R)-8-chloro-1-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-2-methyl-2H-quinoline.

What is the SMILES notation for (2R)-8-chloro-1-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-2-methyl-2H-quinoline?

The canonical SMILES for (2R)-8-chloro-1-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-2-methyl-2H-quinoline is C[C@@H]1C=Cc2cccc(Cl)c2N1p1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1.

What is the InChIKey of (2R)-8-chloro-1-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-2-methyl-2H-quinoline?

The InChIKey is CQYNYOUKADUSED-LJQANCHMSA-N. The full InChI is InChI=1S/C30H21ClNO2P/c1-19-13-14-22-9-6-12-25(31)30(22)32(19)35-33-26-17-15-20-7-2-4-10-23(20)28(26)29-24-11-5-3-8-21(24)16-18-27(29)34-35/h2-19H,1H3/t19-/m1/s1.

What are the key properties of (2R)-8-chloro-1-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-2-methyl-2H-quinoline?

(2R)-8-chloro-1-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-2-methyl-2H-quinoline has a molecular weight of 493.93 g/mol, XLogP of 9.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-8-chloro-1-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-2-methyl-2H-quinoline is sourced from PubChem (CID 102320522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).