(2R)-N,N-dimethyl-4-[2-[2-(1-methyl-4-oxoimidazo[4,5-c]pyridin-5-yl)ethyl]-4-oxo-3-[2-(1,3,3-trimethyl-2-oxoindol-6-yl)ethyl]quinazolin-7-yl]morpholine-2-carboxamide

C37H42N8O5 — CID 177158799

IUPAC(2R)-N,N-dimethyl-4-[2-[2-(1-methyl-4-oxoimidazo[4,5-c]pyridin-5-yl)ethyl]-4-oxo-3-[2-(1,3,3-trimethyl-2-oxoindol-6-yl)ethyl]quinazolin-7-yl]morpholine-2-carboxamide
SMILESCN(C)C(=O)[C@H]1CN(c2ccc3c(=O)n(CCc4ccc5c(c4)N(C)C(=O)C5(C)C)c(CCn4ccc5c(ncn5C)c4=O)nc3c2)CCO1
InChIInChI=1S/C37H42N8O5/c1-37(2)26-10-7-23(19-29(26)42(6)36(37)49)11-16-45-31(13-15-43-14-12-28-32(35(43)48)38-22-41(28)5)39-27-20-24(8-9-25(27)33(45)46)44-17-18-50-30(21-44)34(47)40(3)4/h7-10,12,14,19-20,22,30H,11,13,15-18,21H2,1-6H3/t30-/m1/s1
InChIKeyVNRYSCDTDQDUCX-SSEXGKCCSA-N
MW678.79 g/mol
LogP2.48
Rot. Bonds8

About (2R)-N,N-dimethyl-4-[2-[2-(1-methyl-4-oxoimidazo[4,5-c]pyridin-5-yl)ethyl]-4-oxo-3-[2-(1,3,3-trimethyl-2-oxoindol-6-yl)ethyl]quinazolin-7-yl]morpholine-2-carboxamide

(2R)-N,N-dimethyl-4-[2-[2-(1-methyl-4-oxoimidazo[4,5-c]pyridin-5-yl)ethyl]-4-oxo-3-[2-(1,3,3-trimethyl-2-oxoindol-6-yl)ethyl]quinazolin-7-yl]morpholine-2-carboxamide (PubChem CID 177158799) has the molecular formula C37H42N8O5 and a molecular weight of 678.79 g/mol. Its IUPAC name is (2R)-N,N-dimethyl-4-[2-[2-(1-methyl-4-oxoimidazo[4,5-c]pyridin-5-yl)ethyl]-4-oxo-3-[2-(1,3,3-trimethyl-2-oxoindol-6-yl)ethyl]quinazolin-7-yl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N,N-dimethyl-4-[2-[2-(1-methyl-4-oxoimidazo[4,5-c]pyridin-5-yl)ethyl]-4-oxo-3-[2-(1,3,3-trimethyl-2-oxoindol-6-yl)ethyl]quinazolin-7-yl]morpholine-2-carboxamide
PubChem CID177158799
Molecular FormulaC37H42N8O5
Molecular Weight678.79 g/mol
Exact Mass678.33
IUPAC Name(2R)-N,N-dimethyl-4-[2-[2-(1-methyl-4-oxoimidazo[4,5-c]pyridin-5-yl)ethyl]-4-oxo-3-[2-(1,3,3-trimethyl-2-oxoindol-6-yl)ethyl]quinazolin-7-yl]morpholine-2-carboxamide
SMILESCN(C)C(=O)[C@H]1CN(c2ccc3c(=O)n(CCc4ccc5c(c4)N(C)C(=O)C5(C)C)c(CCn4ccc5c(ncn5C)c4=O)nc3c2)CCO1
InChIInChI=1S/C37H42N8O5/c1-37(2)26-10-7-23(19-29(26)42(6)36(37)49)11-16-45-31(13-15-43-14-12-28-32(35(43)48)38-22-41(28)5)39-27-20-24(8-9-25(27)33(45)46)44-17-18-50-30(21-44)34(47)40(3)4/h7-10,12,14,19-20,22,30H,11,13,15-18,21H2,1-6H3/t30-/m1/s1
InChIKeyVNRYSCDTDQDUCX-SSEXGKCCSA-N
XLogP2.48
TPSA127.80 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.79
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze (2R)-N,N-dimethyl-4-[2-[2-(1-methyl-4-oxoimidazo[4,5-c]pyridin-5-yl)ethyl]-4-oxo-3-[2-(1,3,3-trimethyl-2-oxoindol-6-yl)ethyl]quinazolin-7-yl]morpholine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dimethyl-4-[2-[2-(1-methyl-4-oxoimidazo[4,5-c]pyridin-5-yl)ethyl]-4-oxo-3-[2-(1,3,3-trimethyl-2-oxoindol-6-yl)ethyl]quinazolin-7-yl]morpholine-2-carboxamide?
The IUPAC name of (2R)-N,N-dimethyl-4-[2-[2-(1-methyl-4-oxoimidazo[4,5-c]pyridin-5-yl)ethyl]-4-oxo-3-[2-(1,3,3-trimethyl-2-oxoindol-6-yl)ethyl]quinazolin-7-yl]morpholine-2-carboxamide (CID 177158799) is (2R)-N,N-dimethyl-4-[2-[2-(1-methyl-4-oxoimidazo[4,5-c]pyridin-5-yl)ethyl]-4-oxo-3-[2-(1,3,3-trimethyl-2-oxoindol-6-yl)ethyl]quinazolin-7-yl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N,N-dimethyl-4-[2-[2-(1-methyl-4-oxoimidazo[4,5-c]pyridin-5-yl)ethyl]-4-oxo-3-[2-(1,3,3-trimethyl-2-oxoindol-6-yl)ethyl]quinazolin-7-yl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-N,N-dimethyl-4-[2-[2-(1-methyl-4-oxoimidazo[4,5-c]pyridin-5-yl)ethyl]-4-oxo-3-[2-(1,3,3-trimethyl-2-oxoindol-6-yl)ethyl]quinazolin-7-yl]morpholine-2-carboxamide is CN(C)C(=O)[C@H]1CN(c2ccc3c(=O)n(CCc4ccc5c(c4)N(C)C(=O)C5(C)C)c(CCn4ccc5c(ncn5C)c4=O)nc3c2)CCO1.
What is the InChIKey of (2R)-N,N-dimethyl-4-[2-[2-(1-methyl-4-oxoimidazo[4,5-c]pyridin-5-yl)ethyl]-4-oxo-3-[2-(1,3,3-trimethyl-2-oxoindol-6-yl)ethyl]quinazolin-7-yl]morpholine-2-carboxamide?
The InChIKey is VNRYSCDTDQDUCX-SSEXGKCCSA-N. The full InChI is InChI=1S/C37H42N8O5/c1-37(2)26-10-7-23(19-29(26)42(6)36(37)49)11-16-45-31(13-15-43-14-12-28-32(35(43)48)38-22-41(28)5)39-27-20-24(8-9-25(27)33(45)46)44-17-18-50-30(21-44)34(47)40(3)4/h7-10,12,14,19-20,22,30H,11,13,15-18,21H2,1-6H3/t30-/m1/s1.
What are the key properties of (2R)-N,N-dimethyl-4-[2-[2-(1-methyl-4-oxoimidazo[4,5-c]pyridin-5-yl)ethyl]-4-oxo-3-[2-(1,3,3-trimethyl-2-oxoindol-6-yl)ethyl]quinazolin-7-yl]morpholine-2-carboxamide?
(2R)-N,N-dimethyl-4-[2-[2-(1-methyl-4-oxoimidazo[4,5-c]pyridin-5-yl)ethyl]-4-oxo-3-[2-(1,3,3-trimethyl-2-oxoindol-6-yl)ethyl]quinazolin-7-yl]morpholine-2-carboxamide has a molecular weight of 678.79 g/mol, XLogP of 2.48, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dimethyl-4-[2-[2-(1-methyl-4-oxoimidazo[4,5-c]pyridin-5-yl)ethyl]-4-oxo-3-[2-(1,3,3-trimethyl-2-oxoindol-6-yl)ethyl]quinazolin-7-yl]morpholine-2-carboxamide is sourced from PubChem (CID 177158799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).