(2R)-2-butyl-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)-8-methoxy-2H-quinoline

C34H30NO3P — CID 23419833

About (2R)-2-butyl-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)-8-methoxy-2H-quinoline

(2R)-2-butyl-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)-8-methoxy-2H-quinoline (PubChem CID 23419833) has the molecular formula C34H30NO3P and a molecular weight of 531.59 g/mol. Its IUPAC name is (2R)-2-butyl-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)-8-methoxy-2H-quinoline.

Molecular Properties

• Compound Name: (2R)-2-butyl-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)-8-methoxy-2H-quinoline
• PubChem CID: 23419833
• Molecular Formula: C34H30NO3P
• Molecular Weight: 531.59 g/mol
• Exact Mass: 531.20
• IUPAC Name: (2R)-2-butyl-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)-8-methoxy-2H-quinoline
• SMILES: CCCC[C@@H]1C=Cc2cccc(OC)c2N1p1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1
• InChI: InChI=1S/C34H30NO3P/c1-3-4-13-26-20-17-25-12-9-16-31(36-2)34(25)35(26)39-37-29-21-18-23-10-5-7-14-27(23)32(29)33-28-15-8-6-11-24(28)19-22-30(33)38-39/h5-12,14-22,26H,3-4,13H2,1-2H3/t26-/m1/s1
• InChIKey: IWFZPPKCCDUHRC-AREMUKBSSA-N
• XLogP: 10.46
• TPSA: 38.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.59
LogP ≤ 5	10.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-2-butyl-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)-8-methoxy-2H-quinoline?

The IUPAC name of (2R)-2-butyl-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)-8-methoxy-2H-quinoline (CID 23419833) is (2R)-2-butyl-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)-8-methoxy-2H-quinoline.

What is the SMILES notation for (2R)-2-butyl-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)-8-methoxy-2H-quinoline?

The canonical SMILES for (2R)-2-butyl-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)-8-methoxy-2H-quinoline is CCCC[C@@H]1C=Cc2cccc(OC)c2N1p1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1.

What is the InChIKey of (2R)-2-butyl-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)-8-methoxy-2H-quinoline?

The InChIKey is IWFZPPKCCDUHRC-AREMUKBSSA-N. The full InChI is InChI=1S/C34H30NO3P/c1-3-4-13-26-20-17-25-12-9-16-31(36-2)34(25)35(26)39-37-29-21-18-23-10-5-7-14-27(23)32(29)33-28-15-8-6-11-24(28)19-22-30(33)38-39/h5-12,14-22,26H,3-4,13H2,1-2H3/t26-/m1/s1.

What are the key properties of (2R)-2-butyl-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)-8-methoxy-2H-quinoline?

(2R)-2-butyl-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)-8-methoxy-2H-quinoline has a molecular weight of 531.59 g/mol, XLogP of 10.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-butyl-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)-8-methoxy-2H-quinoline is sourced from PubChem (CID 23419833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).