N-[(4E)-4-[(Z)-2-amino-3-(ethenylamino)prop-2-enylidene]-2,3,4a,5,8,8a-hexahydro-1H-quinolin-6-yl]-N-propylacetamide

C19H30N4O — CID 89164485

IUPACN-[(4E)-4-[(Z)-2-amino-3-(ethenylamino)prop-2-enylidene]-2,3,4a,5,8,8a-hexahydro-1H-quinolin-6-yl]-N-propylacetamide
SMILESC=CN/C=C(N)/C=C1\CCNC2CC=C(N(CCC)C(C)=O)CC12
InChIInChI=1S/C19H30N4O/c1-4-10-23(14(3)24)17-6-7-19-18(12-17)15(8-9-22-19)11-16(20)13-21-5-2/h5-6,11,13,18-19,21-22H,2,4,7-10,12,20H2,1,3H3/b15-11+,16-13-
InChIKeyUMKFWHVUAWJZMQ-KXWVESJESA-N
MW330.48 g/mol
LogP2.36
Rot. Bonds6

About N-[(4E)-4-[(Z)-2-amino-3-(ethenylamino)prop-2-enylidene]-2,3,4a,5,8,8a-hexahydro-1H-quinolin-6-yl]-N-propylacetamide

N-[(4E)-4-[(Z)-2-amino-3-(ethenylamino)prop-2-enylidene]-2,3,4a,5,8,8a-hexahydro-1H-quinolin-6-yl]-N-propylacetamide (PubChem CID 89164485) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is N-[(4E)-4-[(Z)-2-amino-3-(ethenylamino)prop-2-enylidene]-2,3,4a,5,8,8a-hexahydro-1H-quinolin-6-yl]-N-propylacetamide.

Molecular Properties

Compound NameN-[(4E)-4-[(Z)-2-amino-3-(ethenylamino)prop-2-enylidene]-2,3,4a,5,8,8a-hexahydro-1H-quinolin-6-yl]-N-propylacetamide
PubChem CID89164485
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC NameN-[(4E)-4-[(Z)-2-amino-3-(ethenylamino)prop-2-enylidene]-2,3,4a,5,8,8a-hexahydro-1H-quinolin-6-yl]-N-propylacetamide
SMILESC=CN/C=C(N)/C=C1\CCNC2CC=C(N(CCC)C(C)=O)CC12
InChIInChI=1S/C19H30N4O/c1-4-10-23(14(3)24)17-6-7-19-18(12-17)15(8-9-22-19)11-16(20)13-21-5-2/h5-6,11,13,18-19,21-22H,2,4,7-10,12,20H2,1,3H3/b15-11+,16-13-
InChIKeyUMKFWHVUAWJZMQ-KXWVESJESA-N
XLogP2.36
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4E)-4-[(Z)-2-amino-3-(ethenylamino)prop-2-enylidene]-2,3,4a,5,8,8a-hexahydro-1H-quinolin-6-yl]-N-propylacetamide?
The IUPAC name of N-[(4E)-4-[(Z)-2-amino-3-(ethenylamino)prop-2-enylidene]-2,3,4a,5,8,8a-hexahydro-1H-quinolin-6-yl]-N-propylacetamide (CID 89164485) is N-[(4E)-4-[(Z)-2-amino-3-(ethenylamino)prop-2-enylidene]-2,3,4a,5,8,8a-hexahydro-1H-quinolin-6-yl]-N-propylacetamide.
What is the SMILES notation for N-[(4E)-4-[(Z)-2-amino-3-(ethenylamino)prop-2-enylidene]-2,3,4a,5,8,8a-hexahydro-1H-quinolin-6-yl]-N-propylacetamide?
The canonical SMILES for N-[(4E)-4-[(Z)-2-amino-3-(ethenylamino)prop-2-enylidene]-2,3,4a,5,8,8a-hexahydro-1H-quinolin-6-yl]-N-propylacetamide is C=CN/C=C(N)/C=C1\CCNC2CC=C(N(CCC)C(C)=O)CC12.
What is the InChIKey of N-[(4E)-4-[(Z)-2-amino-3-(ethenylamino)prop-2-enylidene]-2,3,4a,5,8,8a-hexahydro-1H-quinolin-6-yl]-N-propylacetamide?
The InChIKey is UMKFWHVUAWJZMQ-KXWVESJESA-N. The full InChI is InChI=1S/C19H30N4O/c1-4-10-23(14(3)24)17-6-7-19-18(12-17)15(8-9-22-19)11-16(20)13-21-5-2/h5-6,11,13,18-19,21-22H,2,4,7-10,12,20H2,1,3H3/b15-11+,16-13-.
What are the key properties of N-[(4E)-4-[(Z)-2-amino-3-(ethenylamino)prop-2-enylidene]-2,3,4a,5,8,8a-hexahydro-1H-quinolin-6-yl]-N-propylacetamide?
N-[(4E)-4-[(Z)-2-amino-3-(ethenylamino)prop-2-enylidene]-2,3,4a,5,8,8a-hexahydro-1H-quinolin-6-yl]-N-propylacetamide has a molecular weight of 330.48 g/mol, XLogP of 2.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4E)-4-[(Z)-2-amino-3-(ethenylamino)prop-2-enylidene]-2,3,4a,5,8,8a-hexahydro-1H-quinolin-6-yl]-N-propylacetamide is sourced from PubChem (CID 89164485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).