(2R,8R)-20,23-dimethyl-2-[(1-oxo-2H-isoquinolin-7-yl)amino]-16-oxa-4,14-diazatetracyclo[17.2.2.19,13.04,8]tetracosa-1(22),9(24),10,12,19(23),20-hexaene-3,15-dione

C32H32N4O4 — CID 70290375

IUPAC(2R,8R)-20,23-dimethyl-2-[(1-oxo-2H-isoquinolin-7-yl)amino]-16-oxa-4,14-diazatetracyclo[17.2.2.19,13.04,8]tetracosa-1(22),9(24),10,12,19(23),20-hexaene-3,15-dione
SMILESCc1cc2cc(C)c1CCOC(=O)Nc1cccc(c1)[C@H]1CCCN1C(=O)[C@@H]2Nc1ccc2cc[nH]c(=O)c2c1
InChIInChI=1S/C32H32N4O4/c1-19-15-23-16-20(2)26(19)11-14-40-32(39)35-24-6-3-5-22(17-24)28-7-4-13-36(28)31(38)29(23)34-25-9-8-21-10-12-33-30(37)27(21)18-25/h3,5-6,8-10,12,15-18,28-29,34H,4,7,11,13-14H2,1-2H3,(H,33,37)(H,35,39)/t28-,29-/m1/s1
InChIKeyPRWDXIMAKHXALE-FQLXRVMXSA-N
MW536.63 g/mol
LogP5.77
Rot. Bonds2

About (2R,8R)-20,23-dimethyl-2-[(1-oxo-2H-isoquinolin-7-yl)amino]-16-oxa-4,14-diazatetracyclo[17.2.2.19,13.04,8]tetracosa-1(22),9(24),10,12,19(23),20-hexaene-3,15-dione

(2R,8R)-20,23-dimethyl-2-[(1-oxo-2H-isoquinolin-7-yl)amino]-16-oxa-4,14-diazatetracyclo[17.2.2.19,13.04,8]tetracosa-1(22),9(24),10,12,19(23),20-hexaene-3,15-dione (PubChem CID 70290375) has the molecular formula C32H32N4O4 and a molecular weight of 536.63 g/mol. Its IUPAC name is (2R,8R)-20,23-dimethyl-2-[(1-oxo-2H-isoquinolin-7-yl)amino]-16-oxa-4,14-diazatetracyclo[17.2.2.19,13.04,8]tetracosa-1(22),9(24),10,12,19(23),20-hexaene-3,15-dione.

Molecular Properties

Compound Name(2R,8R)-20,23-dimethyl-2-[(1-oxo-2H-isoquinolin-7-yl)amino]-16-oxa-4,14-diazatetracyclo[17.2.2.19,13.04,8]tetracosa-1(22),9(24),10,12,19(23),20-hexaene-3,15-dione
PubChem CID70290375
Molecular FormulaC32H32N4O4
Molecular Weight536.63 g/mol
Exact Mass536.24
IUPAC Name(2R,8R)-20,23-dimethyl-2-[(1-oxo-2H-isoquinolin-7-yl)amino]-16-oxa-4,14-diazatetracyclo[17.2.2.19,13.04,8]tetracosa-1(22),9(24),10,12,19(23),20-hexaene-3,15-dione
SMILESCc1cc2cc(C)c1CCOC(=O)Nc1cccc(c1)[C@H]1CCCN1C(=O)[C@@H]2Nc1ccc2cc[nH]c(=O)c2c1
InChIInChI=1S/C32H32N4O4/c1-19-15-23-16-20(2)26(19)11-14-40-32(39)35-24-6-3-5-22(17-24)28-7-4-13-36(28)31(38)29(23)34-25-9-8-21-10-12-33-30(37)27(21)18-25/h3,5-6,8-10,12,15-18,28-29,34H,4,7,11,13-14H2,1-2H3,(H,33,37)(H,35,39)/t28-,29-/m1/s1
InChIKeyPRWDXIMAKHXALE-FQLXRVMXSA-N
XLogP5.77
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.63
LogP ≤ 55.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R,8R)-20,23-dimethyl-2-[(1-oxo-2H-isoquinolin-7-yl)amino]-16-oxa-4,14-diazatetracyclo[17.2.2.19,13.04,8]tetracosa-1(22),9(24),10,12,19(23),20-hexaene-3,15-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,8R)-20,23-dimethyl-2-[(1-oxo-2H-isoquinolin-7-yl)amino]-16-oxa-4,14-diazatetracyclo[17.2.2.19,13.04,8]tetracosa-1(22),9(24),10,12,19(23),20-hexaene-3,15-dione?
The IUPAC name of (2R,8R)-20,23-dimethyl-2-[(1-oxo-2H-isoquinolin-7-yl)amino]-16-oxa-4,14-diazatetracyclo[17.2.2.19,13.04,8]tetracosa-1(22),9(24),10,12,19(23),20-hexaene-3,15-dione (CID 70290375) is (2R,8R)-20,23-dimethyl-2-[(1-oxo-2H-isoquinolin-7-yl)amino]-16-oxa-4,14-diazatetracyclo[17.2.2.19,13.04,8]tetracosa-1(22),9(24),10,12,19(23),20-hexaene-3,15-dione.
What is the SMILES notation for (2R,8R)-20,23-dimethyl-2-[(1-oxo-2H-isoquinolin-7-yl)amino]-16-oxa-4,14-diazatetracyclo[17.2.2.19,13.04,8]tetracosa-1(22),9(24),10,12,19(23),20-hexaene-3,15-dione?
The canonical SMILES for (2R,8R)-20,23-dimethyl-2-[(1-oxo-2H-isoquinolin-7-yl)amino]-16-oxa-4,14-diazatetracyclo[17.2.2.19,13.04,8]tetracosa-1(22),9(24),10,12,19(23),20-hexaene-3,15-dione is Cc1cc2cc(C)c1CCOC(=O)Nc1cccc(c1)[C@H]1CCCN1C(=O)[C@@H]2Nc1ccc2cc[nH]c(=O)c2c1.
What is the InChIKey of (2R,8R)-20,23-dimethyl-2-[(1-oxo-2H-isoquinolin-7-yl)amino]-16-oxa-4,14-diazatetracyclo[17.2.2.19,13.04,8]tetracosa-1(22),9(24),10,12,19(23),20-hexaene-3,15-dione?
The InChIKey is PRWDXIMAKHXALE-FQLXRVMXSA-N. The full InChI is InChI=1S/C32H32N4O4/c1-19-15-23-16-20(2)26(19)11-14-40-32(39)35-24-6-3-5-22(17-24)28-7-4-13-36(28)31(38)29(23)34-25-9-8-21-10-12-33-30(37)27(21)18-25/h3,5-6,8-10,12,15-18,28-29,34H,4,7,11,13-14H2,1-2H3,(H,33,37)(H,35,39)/t28-,29-/m1/s1.
What are the key properties of (2R,8R)-20,23-dimethyl-2-[(1-oxo-2H-isoquinolin-7-yl)amino]-16-oxa-4,14-diazatetracyclo[17.2.2.19,13.04,8]tetracosa-1(22),9(24),10,12,19(23),20-hexaene-3,15-dione?
(2R,8R)-20,23-dimethyl-2-[(1-oxo-2H-isoquinolin-7-yl)amino]-16-oxa-4,14-diazatetracyclo[17.2.2.19,13.04,8]tetracosa-1(22),9(24),10,12,19(23),20-hexaene-3,15-dione has a molecular weight of 536.63 g/mol, XLogP of 5.77, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,8R)-20,23-dimethyl-2-[(1-oxo-2H-isoquinolin-7-yl)amino]-16-oxa-4,14-diazatetracyclo[17.2.2.19,13.04,8]tetracosa-1(22),9(24),10,12,19(23),20-hexaene-3,15-dione is sourced from PubChem (CID 70290375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).