2-[(3R)-4-(2-aminoethyl)morpholin-3-yl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)acetamide

C19H22ClN5O2 — CID 143136998

IUPAC2-[(3R)-4-(2-aminoethyl)morpholin-3-yl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)acetamide
SMILESNCCN1CCOC[C@H]1CC(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12
InChIInChI=1S/C19H22ClN5O2/c20-12-7-15-14-1-3-22-10-17(14)24-19(15)16(8-12)23-18(26)9-13-11-27-6-5-25(13)4-2-21/h1,3,7-8,10,13,24H,2,4-6,9,11,21H2,(H,23,26)/t13-/m1/s1
InChIKeyNFLYUZLIAUPBBR-CYBMUJFWSA-N
MW387.87 g/mol
LogP2.36
Rot. Bonds5

About 2-[(3R)-4-(2-aminoethyl)morpholin-3-yl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)acetamide

2-[(3R)-4-(2-aminoethyl)morpholin-3-yl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)acetamide (PubChem CID 143136998) has the molecular formula C19H22ClN5O2 and a molecular weight of 387.87 g/mol. Its IUPAC name is 2-[(3R)-4-(2-aminoethyl)morpholin-3-yl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)acetamide.

Molecular Properties

Compound Name2-[(3R)-4-(2-aminoethyl)morpholin-3-yl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)acetamide
PubChem CID143136998
Molecular FormulaC19H22ClN5O2
Molecular Weight387.87 g/mol
Exact Mass387.15
IUPAC Name2-[(3R)-4-(2-aminoethyl)morpholin-3-yl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)acetamide
SMILESNCCN1CCOC[C@H]1CC(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12
InChIInChI=1S/C19H22ClN5O2/c20-12-7-15-14-1-3-22-10-17(14)24-19(15)16(8-12)23-18(26)9-13-11-27-6-5-25(13)4-2-21/h1,3,7-8,10,13,24H,2,4-6,9,11,21H2,(H,23,26)/t13-/m1/s1
InChIKeyNFLYUZLIAUPBBR-CYBMUJFWSA-N
XLogP2.36
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-(2-aminoethyl)morpholin-3-yl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)acetamide?
The IUPAC name of 2-[(3R)-4-(2-aminoethyl)morpholin-3-yl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)acetamide (CID 143136998) is 2-[(3R)-4-(2-aminoethyl)morpholin-3-yl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)acetamide.
What is the SMILES notation for 2-[(3R)-4-(2-aminoethyl)morpholin-3-yl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)acetamide?
The canonical SMILES for 2-[(3R)-4-(2-aminoethyl)morpholin-3-yl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)acetamide is NCCN1CCOC[C@H]1CC(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12.
What is the InChIKey of 2-[(3R)-4-(2-aminoethyl)morpholin-3-yl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)acetamide?
The InChIKey is NFLYUZLIAUPBBR-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22ClN5O2/c20-12-7-15-14-1-3-22-10-17(14)24-19(15)16(8-12)23-18(26)9-13-11-27-6-5-25(13)4-2-21/h1,3,7-8,10,13,24H,2,4-6,9,11,21H2,(H,23,26)/t13-/m1/s1.
What are the key properties of 2-[(3R)-4-(2-aminoethyl)morpholin-3-yl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)acetamide?
2-[(3R)-4-(2-aminoethyl)morpholin-3-yl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)acetamide has a molecular weight of 387.87 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-(2-aminoethyl)morpholin-3-yl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)acetamide is sourced from PubChem (CID 143136998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).