(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[3-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide

C27H29N5O5 — CID 67033797

IUPAC(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[3-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
SMILESNC1=NCc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4ccc5c(c4)NC(=O)C(CC4CC4)C5)C3=O)ccc21
InChIInChI=1S/C27H29N5O5/c28-24-20-6-4-18(11-17(20)13-29-24)30-26(35)22(33)23-27(36)32(7-8-37-23)19-5-3-15-10-16(9-14-1-2-14)25(34)31-21(15)12-19/h3-6,11-12,14,16,22-23,33H,1-2,7-10,13H2,(H2,28,29)(H,30,35)(H,31,34)/t16?,22-,23-/m1/s1
InChIKeyFAEOWCXSUHRFNL-OWBZPZHYSA-N
MW503.56 g/mol
LogP1.55
Rot. Bonds6

About (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[3-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide

(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[3-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide (PubChem CID 67033797) has the molecular formula C27H29N5O5 and a molecular weight of 503.56 g/mol. Its IUPAC name is (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[3-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide.

Molecular Properties

Compound Name(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[3-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
PubChem CID67033797
Molecular FormulaC27H29N5O5
Molecular Weight503.56 g/mol
Exact Mass503.22
IUPAC Name(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[3-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
SMILESNC1=NCc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4ccc5c(c4)NC(=O)C(CC4CC4)C5)C3=O)ccc21
InChIInChI=1S/C27H29N5O5/c28-24-20-6-4-18(11-17(20)13-29-24)30-26(35)22(33)23-27(36)32(7-8-37-23)19-5-3-15-10-16(9-14-1-2-14)25(34)31-21(15)12-19/h3-6,11-12,14,16,22-23,33H,1-2,7-10,13H2,(H2,28,29)(H,30,35)(H,31,34)/t16?,22-,23-/m1/s1
InChIKeyFAEOWCXSUHRFNL-OWBZPZHYSA-N
XLogP1.55
TPSA146.35 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.56
LogP ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[3-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[3-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
The IUPAC name of (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[3-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide (CID 67033797) is (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[3-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide.
What is the SMILES notation for (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[3-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
The canonical SMILES for (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[3-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide is NC1=NCc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4ccc5c(c4)NC(=O)C(CC4CC4)C5)C3=O)ccc21.
What is the InChIKey of (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[3-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
The InChIKey is FAEOWCXSUHRFNL-OWBZPZHYSA-N. The full InChI is InChI=1S/C27H29N5O5/c28-24-20-6-4-18(11-17(20)13-29-24)30-26(35)22(33)23-27(36)32(7-8-37-23)19-5-3-15-10-16(9-14-1-2-14)25(34)31-21(15)12-19/h3-6,11-12,14,16,22-23,33H,1-2,7-10,13H2,(H2,28,29)(H,30,35)(H,31,34)/t16?,22-,23-/m1/s1.
What are the key properties of (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[3-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[3-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide has a molecular weight of 503.56 g/mol, XLogP of 1.55, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[3-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide is sourced from PubChem (CID 67033797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).