N-[(E)-2-[6-fluoro-4-morpholin-4-yl-2-[(3Z)-penta-1,3-dien-2-yl]quinazolin-7-yl]prop-1-enyl]methanimine

C21H23FN4O — CID 87621347

IUPACN-[(E)-2-[6-fluoro-4-morpholin-4-yl-2-[(3Z)-penta-1,3-dien-2-yl]quinazolin-7-yl]prop-1-enyl]methanimine
SMILESC=N/C=C(\C)c1cc2nc(C(=C)/C=C\C)nc(N3CCOCC3)c2cc1F
InChIInChI=1S/C21H23FN4O/c1-5-6-14(2)20-24-19-12-16(15(3)13-23-4)18(22)11-17(19)21(25-20)26-7-9-27-10-8-26/h5-6,11-13H,2,4,7-10H2,1,3H3/b6-5-,15-13+
InChIKeyKJZUHXMXBIYXHA-ZEIZGHEPSA-N
MW366.44 g/mol
LogP4.26
Rot. Bonds5

About N-[(E)-2-[6-fluoro-4-morpholin-4-yl-2-[(3Z)-penta-1,3-dien-2-yl]quinazolin-7-yl]prop-1-enyl]methanimine

N-[(E)-2-[6-fluoro-4-morpholin-4-yl-2-[(3Z)-penta-1,3-dien-2-yl]quinazolin-7-yl]prop-1-enyl]methanimine (PubChem CID 87621347) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[(E)-2-[6-fluoro-4-morpholin-4-yl-2-[(3Z)-penta-1,3-dien-2-yl]quinazolin-7-yl]prop-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(E)-2-[6-fluoro-4-morpholin-4-yl-2-[(3Z)-penta-1,3-dien-2-yl]quinazolin-7-yl]prop-1-enyl]methanimine
PubChem CID87621347
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC NameN-[(E)-2-[6-fluoro-4-morpholin-4-yl-2-[(3Z)-penta-1,3-dien-2-yl]quinazolin-7-yl]prop-1-enyl]methanimine
SMILESC=N/C=C(\C)c1cc2nc(C(=C)/C=C\C)nc(N3CCOCC3)c2cc1F
InChIInChI=1S/C21H23FN4O/c1-5-6-14(2)20-24-19-12-16(15(3)13-23-4)18(22)11-17(19)21(25-20)26-7-9-27-10-8-26/h5-6,11-13H,2,4,7-10H2,1,3H3/b6-5-,15-13+
InChIKeyKJZUHXMXBIYXHA-ZEIZGHEPSA-N
XLogP4.26
TPSA50.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-2-[4-morpholin-4-yl-2-[(3Z)-penta-1,3-dien-2-yl]quinazolin-7-yl]prop-1-enyl]methanimine
CID 87621333
3-[4-morpholin-4-yl-2-[(3Z)-penta-1,3-dien-2-yl]pyrido[3,2-d]pyrimidin-7-yl]but-3-en-2-imine
CID 87621530
4-[7-chloro-2-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
CID 137483189
(3Z)-3-(6-fluoro-4-pyrrolidin-1-ylquinazolin-2-yl)penta-1,3-dien-2-ol
CID 143244830
4-(2-methylsulfanylquinazolin-4-yl)morpholine
CID 658307
5-fluoro-4-morpholin-4-yl-N-[(E)-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienylidene]amino]pyrimidin-2-amine
CID 143470922
(E)-3-(6-chloro-7-fluoro-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol;hydrochloride
CID 73357074
1-[4-morpholin-4-yl-2-(trifluoromethyl)quinazolin-6-yl]ethanone
CID 67105711
4-[6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]morpholine
CID 139592902
2-chloro-4-morpholin-4-ylquinazolin-7-ol
CID 137308981
4-(6-chloro-5-fluoro-3-methoxy-2-pyridinyl)morpholine
CID 164917508
1-(7-fluoro-4-morpholin-4-yl-6-propan-2-ylquinazolin-2-yl)pyrazole-4-carboxylic acid
CID 66747741

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-[6-fluoro-4-morpholin-4-yl-2-[(3Z)-penta-1,3-dien-2-yl]quinazolin-7-yl]prop-1-enyl]methanimine?
The IUPAC name of N-[(E)-2-[6-fluoro-4-morpholin-4-yl-2-[(3Z)-penta-1,3-dien-2-yl]quinazolin-7-yl]prop-1-enyl]methanimine (CID 87621347) is N-[(E)-2-[6-fluoro-4-morpholin-4-yl-2-[(3Z)-penta-1,3-dien-2-yl]quinazolin-7-yl]prop-1-enyl]methanimine.
What is the SMILES notation for N-[(E)-2-[6-fluoro-4-morpholin-4-yl-2-[(3Z)-penta-1,3-dien-2-yl]quinazolin-7-yl]prop-1-enyl]methanimine?
The canonical SMILES for N-[(E)-2-[6-fluoro-4-morpholin-4-yl-2-[(3Z)-penta-1,3-dien-2-yl]quinazolin-7-yl]prop-1-enyl]methanimine is C=N/C=C(\C)c1cc2nc(C(=C)/C=C\C)nc(N3CCOCC3)c2cc1F.
What is the InChIKey of N-[(E)-2-[6-fluoro-4-morpholin-4-yl-2-[(3Z)-penta-1,3-dien-2-yl]quinazolin-7-yl]prop-1-enyl]methanimine?
The InChIKey is KJZUHXMXBIYXHA-ZEIZGHEPSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-5-6-14(2)20-24-19-12-16(15(3)13-23-4)18(22)11-17(19)21(25-20)26-7-9-27-10-8-26/h5-6,11-13H,2,4,7-10H2,1,3H3/b6-5-,15-13+.
What are the key properties of N-[(E)-2-[6-fluoro-4-morpholin-4-yl-2-[(3Z)-penta-1,3-dien-2-yl]quinazolin-7-yl]prop-1-enyl]methanimine?
N-[(E)-2-[6-fluoro-4-morpholin-4-yl-2-[(3Z)-penta-1,3-dien-2-yl]quinazolin-7-yl]prop-1-enyl]methanimine has a molecular weight of 366.44 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-[6-fluoro-4-morpholin-4-yl-2-[(3Z)-penta-1,3-dien-2-yl]quinazolin-7-yl]prop-1-enyl]methanimine is sourced from PubChem (CID 87621347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).