4-[2-[(2E,4Z)-5-aminopenta-2,4-dien-2-yl]-6-methyl-4-methylimino-2,3,7,8-tetrahydro-1H-quinazolin-7-yl]cyclohex-3-ene-1-carbonitrile

C22H29N5 — CID 137285052

IUPAC4-[2-[(2E,4Z)-5-aminopenta-2,4-dien-2-yl]-6-methyl-4-methylimino-2,3,7,8-tetrahydro-1H-quinazolin-7-yl]cyclohex-3-ene-1-carbonitrile
SMILESC/N=C1\NC(/C(C)=C/C=C\N)NC2=C1C=C(C)C(C1=CCC(C#N)CC1)C2
InChIInChI=1S/C22H29N5/c1-14(5-4-10-23)21-26-20-12-18(17-8-6-16(13-24)7-9-17)15(2)11-19(20)22(25-3)27-21/h4-5,8,10-11,16,18,21,26H,6-7,9,12,23H2,1-3H3,(H,25,27)/b10-4-,14-5+
InChIKeyDTJLQZUVWUTJGY-SENWVQMDSA-N
MW363.51 g/mol
LogP3.42
Rot. Bonds3

About 4-[2-[(2E,4Z)-5-aminopenta-2,4-dien-2-yl]-6-methyl-4-methylimino-2,3,7,8-tetrahydro-1H-quinazolin-7-yl]cyclohex-3-ene-1-carbonitrile

4-[2-[(2E,4Z)-5-aminopenta-2,4-dien-2-yl]-6-methyl-4-methylimino-2,3,7,8-tetrahydro-1H-quinazolin-7-yl]cyclohex-3-ene-1-carbonitrile (PubChem CID 137285052) has the molecular formula C22H29N5 and a molecular weight of 363.51 g/mol. Its IUPAC name is 4-[2-[(2E,4Z)-5-aminopenta-2,4-dien-2-yl]-6-methyl-4-methylimino-2,3,7,8-tetrahydro-1H-quinazolin-7-yl]cyclohex-3-ene-1-carbonitrile.

Molecular Properties

Compound Name4-[2-[(2E,4Z)-5-aminopenta-2,4-dien-2-yl]-6-methyl-4-methylimino-2,3,7,8-tetrahydro-1H-quinazolin-7-yl]cyclohex-3-ene-1-carbonitrile
PubChem CID137285052
Molecular FormulaC22H29N5
Molecular Weight363.51 g/mol
Exact Mass363.24
IUPAC Name4-[2-[(2E,4Z)-5-aminopenta-2,4-dien-2-yl]-6-methyl-4-methylimino-2,3,7,8-tetrahydro-1H-quinazolin-7-yl]cyclohex-3-ene-1-carbonitrile
SMILESC/N=C1\NC(/C(C)=C/C=C\N)NC2=C1C=C(C)C(C1=CCC(C#N)CC1)C2
InChIInChI=1S/C22H29N5/c1-14(5-4-10-23)21-26-20-12-18(17-8-6-16(13-24)7-9-17)15(2)11-19(20)22(25-3)27-21/h4-5,8,10-11,16,18,21,26H,6-7,9,12,23H2,1-3H3,(H,25,27)/b10-4-,14-5+
InChIKeyDTJLQZUVWUTJGY-SENWVQMDSA-N
XLogP3.42
TPSA86.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-[(2E,4Z)-5-aminopenta-2,4-dien-2-yl]-6-methyl-4-methylimino-2,3,7,8-tetrahydro-1H-quinazolin-7-yl]cyclohex-3-ene-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2E,4Z)-5-aminopenta-2,4-dien-2-yl]-6-methyl-4-methylimino-2,3,7,8-tetrahydro-1H-quinazolin-7-yl]cyclohex-3-ene-1-carbonitrile?
The IUPAC name of 4-[2-[(2E,4Z)-5-aminopenta-2,4-dien-2-yl]-6-methyl-4-methylimino-2,3,7,8-tetrahydro-1H-quinazolin-7-yl]cyclohex-3-ene-1-carbonitrile (CID 137285052) is 4-[2-[(2E,4Z)-5-aminopenta-2,4-dien-2-yl]-6-methyl-4-methylimino-2,3,7,8-tetrahydro-1H-quinazolin-7-yl]cyclohex-3-ene-1-carbonitrile.
What is the SMILES notation for 4-[2-[(2E,4Z)-5-aminopenta-2,4-dien-2-yl]-6-methyl-4-methylimino-2,3,7,8-tetrahydro-1H-quinazolin-7-yl]cyclohex-3-ene-1-carbonitrile?
The canonical SMILES for 4-[2-[(2E,4Z)-5-aminopenta-2,4-dien-2-yl]-6-methyl-4-methylimino-2,3,7,8-tetrahydro-1H-quinazolin-7-yl]cyclohex-3-ene-1-carbonitrile is C/N=C1\NC(/C(C)=C/C=C\N)NC2=C1C=C(C)C(C1=CCC(C#N)CC1)C2.
What is the InChIKey of 4-[2-[(2E,4Z)-5-aminopenta-2,4-dien-2-yl]-6-methyl-4-methylimino-2,3,7,8-tetrahydro-1H-quinazolin-7-yl]cyclohex-3-ene-1-carbonitrile?
The InChIKey is DTJLQZUVWUTJGY-SENWVQMDSA-N. The full InChI is InChI=1S/C22H29N5/c1-14(5-4-10-23)21-26-20-12-18(17-8-6-16(13-24)7-9-17)15(2)11-19(20)22(25-3)27-21/h4-5,8,10-11,16,18,21,26H,6-7,9,12,23H2,1-3H3,(H,25,27)/b10-4-,14-5+.
What are the key properties of 4-[2-[(2E,4Z)-5-aminopenta-2,4-dien-2-yl]-6-methyl-4-methylimino-2,3,7,8-tetrahydro-1H-quinazolin-7-yl]cyclohex-3-ene-1-carbonitrile?
4-[2-[(2E,4Z)-5-aminopenta-2,4-dien-2-yl]-6-methyl-4-methylimino-2,3,7,8-tetrahydro-1H-quinazolin-7-yl]cyclohex-3-ene-1-carbonitrile has a molecular weight of 363.51 g/mol, XLogP of 3.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2E,4Z)-5-aminopenta-2,4-dien-2-yl]-6-methyl-4-methylimino-2,3,7,8-tetrahydro-1H-quinazolin-7-yl]cyclohex-3-ene-1-carbonitrile is sourced from PubChem (CID 137285052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).