(E)-N-[4-amino-2-[(3E)-hexa-1,3,5-trien-3-yl]quinolin-6-yl]-3-phenylprop-2-enamide

C24H21N3O — CID 142247638

IUPAC(E)-N-[4-amino-2-[(3E)-hexa-1,3,5-trien-3-yl]quinolin-6-yl]-3-phenylprop-2-enamide
SMILESC=C/C=C(\C=C)c1cc(N)c2cc(NC(=O)/C=C/c3ccccc3)ccc2n1
InChIInChI=1S/C24H21N3O/c1-3-8-18(4-2)23-16-21(25)20-15-19(12-13-22(20)27-23)26-24(28)14-11-17-9-6-5-7-10-17/h3-16H,1-2H2,(H2,25,27)(H,26,28)/b14-11+,18-8+
InChIKeyUTFDHBFVCTVTOQ-XCGAKDHTSA-N
MW367.45 g/mol
LogP5.22
Rot. Bonds6

About (E)-N-[4-amino-2-[(3E)-hexa-1,3,5-trien-3-yl]quinolin-6-yl]-3-phenylprop-2-enamide

(E)-N-[4-amino-2-[(3E)-hexa-1,3,5-trien-3-yl]quinolin-6-yl]-3-phenylprop-2-enamide (PubChem CID 142247638) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is (E)-N-[4-amino-2-[(3E)-hexa-1,3,5-trien-3-yl]quinolin-6-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-amino-2-[(3E)-hexa-1,3,5-trien-3-yl]quinolin-6-yl]-3-phenylprop-2-enamide
PubChem CID142247638
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC Name(E)-N-[4-amino-2-[(3E)-hexa-1,3,5-trien-3-yl]quinolin-6-yl]-3-phenylprop-2-enamide
SMILESC=C/C=C(\C=C)c1cc(N)c2cc(NC(=O)/C=C/c3ccccc3)ccc2n1
InChIInChI=1S/C24H21N3O/c1-3-8-18(4-2)23-16-21(25)20-15-19(12-13-22(20)27-23)26-24(28)14-11-17-9-6-5-7-10-17/h3-16H,1-2H2,(H2,25,27)(H,26,28)/b14-11+,18-8+
InChIKeyUTFDHBFVCTVTOQ-XCGAKDHTSA-N
XLogP5.22
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(4-amino-2-phenylquinolin-6-yl)-3-(3-chlorophenyl)prop-2-enamide
CID 10216141
N-[3-amino-4-(2-phenylethenyl)phenyl]prop-2-enamide
CID 154139175
(E)-N-(2H-benzotriazol-5-yl)-3-phenylprop-2-enamide
CID 22614183
(E)-N-(4-amino-2-methylquinolin-6-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 15133402
N-(4-amino-2-propylquinolin-6-yl)-3-(4-chlorophenyl)prop-2-enamide
CID 68978733
N-(3-amino-4-methoxyphenyl)-3-phenylprop-2-enamide
CID 74572950
(E)-N-(4-amino-2-ethylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 10150552
(E)-N-(4-amino-2-hexylquinolin-6-yl)-3-(4-chlorophenyl)prop-2-enamide
CID 10309789
3-phenyl-N-(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)prop-2-enamide
CID 4587182
(E)-3-phenyl-N-[3-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enamide
CID 5286756
3-phenyl-N-quinolin-3-ylprop-2-enamide
CID 4000416
(Z)-N-[4-[2,6-bis[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]pyrimidin-4-yl]phenyl]-3-phenylprop-2-enamide
CID 99690618

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-amino-2-[(3E)-hexa-1,3,5-trien-3-yl]quinolin-6-yl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[4-amino-2-[(3E)-hexa-1,3,5-trien-3-yl]quinolin-6-yl]-3-phenylprop-2-enamide (CID 142247638) is (E)-N-[4-amino-2-[(3E)-hexa-1,3,5-trien-3-yl]quinolin-6-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-amino-2-[(3E)-hexa-1,3,5-trien-3-yl]quinolin-6-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[4-amino-2-[(3E)-hexa-1,3,5-trien-3-yl]quinolin-6-yl]-3-phenylprop-2-enamide is C=C/C=C(\C=C)c1cc(N)c2cc(NC(=O)/C=C/c3ccccc3)ccc2n1.
What is the InChIKey of (E)-N-[4-amino-2-[(3E)-hexa-1,3,5-trien-3-yl]quinolin-6-yl]-3-phenylprop-2-enamide?
The InChIKey is UTFDHBFVCTVTOQ-XCGAKDHTSA-N. The full InChI is InChI=1S/C24H21N3O/c1-3-8-18(4-2)23-16-21(25)20-15-19(12-13-22(20)27-23)26-24(28)14-11-17-9-6-5-7-10-17/h3-16H,1-2H2,(H2,25,27)(H,26,28)/b14-11+,18-8+.
What are the key properties of (E)-N-[4-amino-2-[(3E)-hexa-1,3,5-trien-3-yl]quinolin-6-yl]-3-phenylprop-2-enamide?
(E)-N-[4-amino-2-[(3E)-hexa-1,3,5-trien-3-yl]quinolin-6-yl]-3-phenylprop-2-enamide has a molecular weight of 367.45 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-amino-2-[(3E)-hexa-1,3,5-trien-3-yl]quinolin-6-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 142247638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).