N-[3-[(1-aminoisoquinolin-6-yl)amino]-1-(furan-2-yl)-2-hydroxy-3-oxopropyl]-4-(diethylamino)benzamide

C27H29N5O4 — CID 76647669

IUPACN-[3-[(1-aminoisoquinolin-6-yl)amino]-1-(furan-2-yl)-2-hydroxy-3-oxopropyl]-4-(diethylamino)benzamide
SMILESCCN(CC)c1ccc(C(=O)NC(c2ccco2)C(O)C(=O)Nc2ccc3c(N)nccc3c2)cc1
InChIInChI=1S/C27H29N5O4/c1-3-32(4-2)20-10-7-17(8-11-20)26(34)31-23(22-6-5-15-36-22)24(33)27(35)30-19-9-12-21-18(16-19)13-14-29-25(21)28/h5-16,23-24,33H,3-4H2,1-2H3,(H2,28,29)(H,30,35)(H,31,34)
InChIKeyHBHLOJRWBTVNSR-UHFFFAOYSA-N
MW487.56 g/mol
LogP3.73
Rot. Bonds9

About N-[3-[(1-aminoisoquinolin-6-yl)amino]-1-(furan-2-yl)-2-hydroxy-3-oxopropyl]-4-(diethylamino)benzamide

N-[3-[(1-aminoisoquinolin-6-yl)amino]-1-(furan-2-yl)-2-hydroxy-3-oxopropyl]-4-(diethylamino)benzamide (PubChem CID 76647669) has the molecular formula C27H29N5O4 and a molecular weight of 487.56 g/mol. Its IUPAC name is N-[3-[(1-aminoisoquinolin-6-yl)amino]-1-(furan-2-yl)-2-hydroxy-3-oxopropyl]-4-(diethylamino)benzamide.

Molecular Properties

Compound NameN-[3-[(1-aminoisoquinolin-6-yl)amino]-1-(furan-2-yl)-2-hydroxy-3-oxopropyl]-4-(diethylamino)benzamide
PubChem CID76647669
Molecular FormulaC27H29N5O4
Molecular Weight487.56 g/mol
Exact Mass487.22
IUPAC NameN-[3-[(1-aminoisoquinolin-6-yl)amino]-1-(furan-2-yl)-2-hydroxy-3-oxopropyl]-4-(diethylamino)benzamide
SMILESCCN(CC)c1ccc(C(=O)NC(c2ccco2)C(O)C(=O)Nc2ccc3c(N)nccc3c2)cc1
InChIInChI=1S/C27H29N5O4/c1-3-32(4-2)20-10-7-17(8-11-20)26(34)31-23(22-6-5-15-36-22)24(33)27(35)30-19-9-12-21-18(16-19)13-14-29-25(21)28/h5-16,23-24,33H,3-4H2,1-2H3,(H2,28,29)(H,30,35)(H,31,34)
InChIKeyHBHLOJRWBTVNSR-UHFFFAOYSA-N
XLogP3.73
TPSA133.72 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 53.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[3-[(1-aminoisoquinolin-6-yl)amino]-1-(furan-2-yl)-2-hydroxy-3-oxopropyl]-4-(diethylamino)benzamide with MolForge

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Related Compounds

N-[3-[(2-amino-1,3-benzothiazol-6-yl)amino]-1-(furan-2-yl)-2-hydroxy-3-oxopropyl]-4-(diethylamino)benzamide
CID 87093432
N-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-1-(2-methoxyphenyl)-3-oxopropyl]-4-(diethylamino)benzamide
CID 66658636
N-(1-aminoisoquinolin-6-yl)-2-methylpropanamide
CID 58181545
N-[3-[(1-aminoisoquinolin-7-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-4-pyrrolidin-1-ylbenzamide
CID 24797674
2-amino-N-[4-(diethylamino)phenyl]pyridine-4-carboxamide
CID 63180905
4-N-[4-(diethylamino)phenyl]-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109046633
N-[4-(diethylamino)phenyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303374
4-[ethyl(methyl)amino]-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 110908170
4-(diethylamino)-N-(1,3-dihydroxypropan-2-yl)benzamide
CID 65312704
N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide
CID 75153689
N-[4-(diethylamino)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 134036419
4-(diethylamino)-N-(4-methoxyphenyl)benzamide
CID 23965088

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-aminoisoquinolin-6-yl)amino]-1-(furan-2-yl)-2-hydroxy-3-oxopropyl]-4-(diethylamino)benzamide?
The IUPAC name of N-[3-[(1-aminoisoquinolin-6-yl)amino]-1-(furan-2-yl)-2-hydroxy-3-oxopropyl]-4-(diethylamino)benzamide (CID 76647669) is N-[3-[(1-aminoisoquinolin-6-yl)amino]-1-(furan-2-yl)-2-hydroxy-3-oxopropyl]-4-(diethylamino)benzamide.
What is the SMILES notation for N-[3-[(1-aminoisoquinolin-6-yl)amino]-1-(furan-2-yl)-2-hydroxy-3-oxopropyl]-4-(diethylamino)benzamide?
The canonical SMILES for N-[3-[(1-aminoisoquinolin-6-yl)amino]-1-(furan-2-yl)-2-hydroxy-3-oxopropyl]-4-(diethylamino)benzamide is CCN(CC)c1ccc(C(=O)NC(c2ccco2)C(O)C(=O)Nc2ccc3c(N)nccc3c2)cc1.
What is the InChIKey of N-[3-[(1-aminoisoquinolin-6-yl)amino]-1-(furan-2-yl)-2-hydroxy-3-oxopropyl]-4-(diethylamino)benzamide?
The InChIKey is HBHLOJRWBTVNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O4/c1-3-32(4-2)20-10-7-17(8-11-20)26(34)31-23(22-6-5-15-36-22)24(33)27(35)30-19-9-12-21-18(16-19)13-14-29-25(21)28/h5-16,23-24,33H,3-4H2,1-2H3,(H2,28,29)(H,30,35)(H,31,34).
What are the key properties of N-[3-[(1-aminoisoquinolin-6-yl)amino]-1-(furan-2-yl)-2-hydroxy-3-oxopropyl]-4-(diethylamino)benzamide?
N-[3-[(1-aminoisoquinolin-6-yl)amino]-1-(furan-2-yl)-2-hydroxy-3-oxopropyl]-4-(diethylamino)benzamide has a molecular weight of 487.56 g/mol, XLogP of 3.73, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-aminoisoquinolin-6-yl)amino]-1-(furan-2-yl)-2-hydroxy-3-oxopropyl]-4-(diethylamino)benzamide is sourced from PubChem (CID 76647669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).