7-[(Z)-3-imino-1-[methyl(2-morpholin-4-ylethyl)amino]prop-1-en-2-yl]-N-[2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]quinazolin-4-amine

C30H30F3N7O — CID 178018503

IUPAC7-[(Z)-3-imino-1-[methyl(2-morpholin-4-ylethyl)amino]prop-1-en-2-yl]-N-[2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]quinazolin-4-amine
SMILES[H]/N=C/C(=C\N(C)CCN1CCOCC1)c1ccc2c(Nc3ccnc(-c4ccccc4C(F)(F)F)c3)ncnc2c1
InChIInChI=1S/C30H30F3N7O/c1-39(10-11-40-12-14-41-15-13-40)19-22(18-34)21-6-7-25-27(16-21)36-20-37-29(25)38-23-8-9-35-28(17-23)24-4-2-3-5-26(24)30(31,32)33/h2-9,16-20,34H,10-15H2,1H3,(H,35,36,37,38)/b22-19+,34-18+
InChIKeyDLKPBYRVDRVDOS-PIWJCDHDSA-N
MW561.61 g/mol
LogP5.71
Rot. Bonds9

About 7-[(Z)-3-imino-1-[methyl(2-morpholin-4-ylethyl)amino]prop-1-en-2-yl]-N-[2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]quinazolin-4-amine

7-[(Z)-3-imino-1-[methyl(2-morpholin-4-ylethyl)amino]prop-1-en-2-yl]-N-[2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]quinazolin-4-amine (PubChem CID 178018503) has the molecular formula C30H30F3N7O and a molecular weight of 561.61 g/mol. Its IUPAC name is 7-[(Z)-3-imino-1-[methyl(2-morpholin-4-ylethyl)amino]prop-1-en-2-yl]-N-[2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]quinazolin-4-amine.

Molecular Properties

Compound Name7-[(Z)-3-imino-1-[methyl(2-morpholin-4-ylethyl)amino]prop-1-en-2-yl]-N-[2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]quinazolin-4-amine
PubChem CID178018503
Molecular FormulaC30H30F3N7O
Molecular Weight561.61 g/mol
Exact Mass561.25
IUPAC Name7-[(Z)-3-imino-1-[methyl(2-morpholin-4-ylethyl)amino]prop-1-en-2-yl]-N-[2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]quinazolin-4-amine
SMILES[H]/N=C/C(=C\N(C)CCN1CCOCC1)c1ccc2c(Nc3ccnc(-c4ccccc4C(F)(F)F)c3)ncnc2c1
InChIInChI=1S/C30H30F3N7O/c1-39(10-11-40-12-14-41-15-13-40)19-22(18-34)21-6-7-25-27(16-21)36-20-37-29(25)38-23-8-9-35-28(17-23)24-4-2-3-5-26(24)30(31,32)33/h2-9,16-20,34H,10-15H2,1H3,(H,35,36,37,38)/b22-19+,34-18+
InChIKeyDLKPBYRVDRVDOS-PIWJCDHDSA-N
XLogP5.71
TPSA90.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.61
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 7-[(Z)-3-imino-1-[methyl(2-morpholin-4-ylethyl)amino]prop-1-en-2-yl]-N-[2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]quinazolin-4-amine with MolForge

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Related Compounds

N-[4-tert-butyl-3-(2-morpholin-4-ylethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 22030443
7-[1-amino-3-[2-(dimethylamino)ethylimino]prop-1-en-2-yl]-N-(2-phenyl-4-pyridinyl)quinazolin-4-amine
CID 178018487
2-[4-(3-bromoanilino)quinazolin-7-yl]-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 69083266
N-[3-(2-morpholin-4-ylethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
CID 23537181
4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinazoline-7-carboxylate
CID 6984794
4-N-(3-methylphenyl)-7-(3-morpholin-4-ylpropoxy)quinazoline-4,6-diamine
CID 10834412
7-(3-morpholin-4-ylpropoxy)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 54490718
6-methoxy-N-(2-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330171
4-(3-hydroxyanilino)quinazoline-7-carboxylic acid;hydrochloride
CID 20982572
4-(3-methylanilino)quinazoline-7-carboxylic acid
CID 1414137
3-methoxy-N-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]benzamide
CID 66550689
7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-pyridin-3-ylquinazolin-4-amine
CID 151014604

Frequently Asked Questions

What is the IUPAC name of 7-[(Z)-3-imino-1-[methyl(2-morpholin-4-ylethyl)amino]prop-1-en-2-yl]-N-[2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]quinazolin-4-amine?
The IUPAC name of 7-[(Z)-3-imino-1-[methyl(2-morpholin-4-ylethyl)amino]prop-1-en-2-yl]-N-[2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]quinazolin-4-amine (CID 178018503) is 7-[(Z)-3-imino-1-[methyl(2-morpholin-4-ylethyl)amino]prop-1-en-2-yl]-N-[2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]quinazolin-4-amine.
What is the SMILES notation for 7-[(Z)-3-imino-1-[methyl(2-morpholin-4-ylethyl)amino]prop-1-en-2-yl]-N-[2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]quinazolin-4-amine?
The canonical SMILES for 7-[(Z)-3-imino-1-[methyl(2-morpholin-4-ylethyl)amino]prop-1-en-2-yl]-N-[2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]quinazolin-4-amine is [H]/N=C/C(=C\N(C)CCN1CCOCC1)c1ccc2c(Nc3ccnc(-c4ccccc4C(F)(F)F)c3)ncnc2c1.
What is the InChIKey of 7-[(Z)-3-imino-1-[methyl(2-morpholin-4-ylethyl)amino]prop-1-en-2-yl]-N-[2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]quinazolin-4-amine?
The InChIKey is DLKPBYRVDRVDOS-PIWJCDHDSA-N. The full InChI is InChI=1S/C30H30F3N7O/c1-39(10-11-40-12-14-41-15-13-40)19-22(18-34)21-6-7-25-27(16-21)36-20-37-29(25)38-23-8-9-35-28(17-23)24-4-2-3-5-26(24)30(31,32)33/h2-9,16-20,34H,10-15H2,1H3,(H,35,36,37,38)/b22-19+,34-18+.
What are the key properties of 7-[(Z)-3-imino-1-[methyl(2-morpholin-4-ylethyl)amino]prop-1-en-2-yl]-N-[2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]quinazolin-4-amine?
7-[(Z)-3-imino-1-[methyl(2-morpholin-4-ylethyl)amino]prop-1-en-2-yl]-N-[2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]quinazolin-4-amine has a molecular weight of 561.61 g/mol, XLogP of 5.71, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(Z)-3-imino-1-[methyl(2-morpholin-4-ylethyl)amino]prop-1-en-2-yl]-N-[2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]quinazolin-4-amine is sourced from PubChem (CID 178018503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).