4-(5-hydroxy-2-methylanilino)-N-propan-2-ylquinoline-6-carboxamide

C20H21N3O2 — CID 25023831

IUPAC4-(5-hydroxy-2-methylanilino)-N-propan-2-ylquinoline-6-carboxamide
SMILESCc1ccc(O)cc1Nc1ccnc2ccc(C(=O)NC(C)C)cc12
InChIInChI=1S/C20H21N3O2/c1-12(2)22-20(25)14-5-7-17-16(10-14)18(8-9-21-17)23-19-11-15(24)6-4-13(19)3/h4-12,24H,1-3H3,(H,21,23)(H,22,25)
InChIKeyBGENYXBKHAIHOL-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.13
Rot. Bonds4

About 4-(5-hydroxy-2-methylanilino)-N-propan-2-ylquinoline-6-carboxamide

4-(5-hydroxy-2-methylanilino)-N-propan-2-ylquinoline-6-carboxamide (PubChem CID 25023831) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-(5-hydroxy-2-methylanilino)-N-propan-2-ylquinoline-6-carboxamide.

Molecular Properties

Compound Name4-(5-hydroxy-2-methylanilino)-N-propan-2-ylquinoline-6-carboxamide
PubChem CID25023831
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-(5-hydroxy-2-methylanilino)-N-propan-2-ylquinoline-6-carboxamide
SMILESCc1ccc(O)cc1Nc1ccnc2ccc(C(=O)NC(C)C)cc12
InChIInChI=1S/C20H21N3O2/c1-12(2)22-20(25)14-5-7-17-16(10-14)18(8-9-21-17)23-19-11-15(24)6-4-13(19)3/h4-12,24H,1-3H3,(H,21,23)(H,22,25)
InChIKeyBGENYXBKHAIHOL-UHFFFAOYSA-N
XLogP4.13
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-hydroxy-2-methylanilino)-N-propan-2-ylquinoline-6-carboxamide?
The IUPAC name of 4-(5-hydroxy-2-methylanilino)-N-propan-2-ylquinoline-6-carboxamide (CID 25023831) is 4-(5-hydroxy-2-methylanilino)-N-propan-2-ylquinoline-6-carboxamide.
What is the SMILES notation for 4-(5-hydroxy-2-methylanilino)-N-propan-2-ylquinoline-6-carboxamide?
The canonical SMILES for 4-(5-hydroxy-2-methylanilino)-N-propan-2-ylquinoline-6-carboxamide is Cc1ccc(O)cc1Nc1ccnc2ccc(C(=O)NC(C)C)cc12.
What is the InChIKey of 4-(5-hydroxy-2-methylanilino)-N-propan-2-ylquinoline-6-carboxamide?
The InChIKey is BGENYXBKHAIHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-12(2)22-20(25)14-5-7-17-16(10-14)18(8-9-21-17)23-19-11-15(24)6-4-13(19)3/h4-12,24H,1-3H3,(H,21,23)(H,22,25).
What are the key properties of 4-(5-hydroxy-2-methylanilino)-N-propan-2-ylquinoline-6-carboxamide?
4-(5-hydroxy-2-methylanilino)-N-propan-2-ylquinoline-6-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 4.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-hydroxy-2-methylanilino)-N-propan-2-ylquinoline-6-carboxamide is sourced from PubChem (CID 25023831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).