1-amino-3-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]amino]propan-2-ol

C22H26N4O — CID 71255197

IUPAC1-amino-3-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]amino]propan-2-ol
SMILESNCC(O)CNc1cc(N2CCCc3ccccc3C2)nc2ccccc12
InChIInChI=1S/C22H26N4O/c23-13-18(27)14-24-21-12-22(25-20-10-4-3-9-19(20)21)26-11-5-8-16-6-1-2-7-17(16)15-26/h1-4,6-7,9-10,12,18,27H,5,8,11,13-15,23H2,(H,24,25)
InChIKeyDGQZVYKDPGIRQY-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.92
Rot. Bonds5

About 1-amino-3-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]amino]propan-2-ol

1-amino-3-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]amino]propan-2-ol (PubChem CID 71255197) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-amino-3-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]amino]propan-2-ol
PubChem CID71255197
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name1-amino-3-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]amino]propan-2-ol
SMILESNCC(O)CNc1cc(N2CCCc3ccccc3C2)nc2ccccc12
InChIInChI=1S/C22H26N4O/c23-13-18(27)14-24-21-12-22(25-20-10-4-3-9-19(20)21)26-11-5-8-16-6-1-2-7-17(16)15-26/h1-4,6-7,9-10,12,18,27H,5,8,11,13-15,23H2,(H,24,25)
InChIKeyDGQZVYKDPGIRQY-UHFFFAOYSA-N
XLogP2.92
TPSA74.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-amino-3-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]amino]propan-2-ol with MolForge

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Related Compounds

CID 2971918
CID 2971918
1-[2-(Dimethylamino)quinolin-4-yl]-3-phenylurea
CID 2824465
2-({2-[(4-Bromophenyl)amino]-4-quinazolinyl}amino)ethanol hydrochloride
CID 2952991
4-Phenanthridin-6-ylmorpholine
CID 823944
2-[(4-Phenylquinazolin-2-yl)amino]ethanol
CID 661382
Ethanol, 2-[4-(4-benzylaminoquinazolin-2-yl)piperazin-1-yl]-
CID 1158941
2-[(Quinolin-2-yl)amino]ethan-1-ol
CID 593855
N-(2-(4-Morpholinyl)ethyl)-2-phenyl-4-quinazolinamine
CID 675240
2-[[2-(3,4-Dimethylanilino)quinazolin-4-yl]amino]ethanol
CID 2226126
2-(2-Phenylamino-quinazolin-4-ylamino)-ethanol
CID 9549592
2-(3-Benzylquinoxalin-2-ylamino)ethanol
CID 44409443
N-(4-methylphenyl)-4-(morpholin-4-yl)quinazolin-2-amine
CID 784132

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]amino]propan-2-ol?
The IUPAC name of 1-amino-3-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]amino]propan-2-ol (CID 71255197) is 1-amino-3-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]amino]propan-2-ol.
What is the SMILES notation for 1-amino-3-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]amino]propan-2-ol?
The canonical SMILES for 1-amino-3-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]amino]propan-2-ol is NCC(O)CNc1cc(N2CCCc3ccccc3C2)nc2ccccc12.
What is the InChIKey of 1-amino-3-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]amino]propan-2-ol?
The InChIKey is DGQZVYKDPGIRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c23-13-18(27)14-24-21-12-22(25-20-10-4-3-9-19(20)21)26-11-5-8-16-6-1-2-7-17(16)15-26/h1-4,6-7,9-10,12,18,27H,5,8,11,13-15,23H2,(H,24,25).
What are the key properties of 1-amino-3-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]amino]propan-2-ol?
1-amino-3-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]amino]propan-2-ol has a molecular weight of 362.48 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 71255197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).