4-N-[6-methyl-2-[(Z)-2-pyridin-2-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine

C22H25N5 — CID 69239806

IUPAC4-N-[6-methyl-2-[(Z)-2-pyridin-2-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine
SMILESCc1ccc2nc(/C=C\c3ccccn3)nc(NC3CCC(N)CC3)c2c1
InChIInChI=1S/C22H25N5/c1-15-5-11-20-19(14-15)22(25-18-8-6-16(23)7-9-18)27-21(26-20)12-10-17-4-2-3-13-24-17/h2-5,10-14,16,18H,6-9,23H2,1H3,(H,25,26,27)/b12-10-
InChIKeyOYMADNMNKFPVMX-BENRWUELSA-N
MW359.48 g/mol
LogP4.19
Rot. Bonds4

About 4-N-[6-methyl-2-[(Z)-2-pyridin-2-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine

4-N-[6-methyl-2-[(Z)-2-pyridin-2-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine (PubChem CID 69239806) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is 4-N-[6-methyl-2-[(Z)-2-pyridin-2-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[6-methyl-2-[(Z)-2-pyridin-2-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine
PubChem CID69239806
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC Name4-N-[6-methyl-2-[(Z)-2-pyridin-2-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine
SMILESCc1ccc2nc(/C=C\c3ccccn3)nc(NC3CCC(N)CC3)c2c1
InChIInChI=1S/C22H25N5/c1-15-5-11-20-19(14-15)22(25-18-8-6-16(23)7-9-18)27-21(26-20)12-10-17-4-2-3-13-24-17/h2-5,10-14,16,18H,6-9,23H2,1H3,(H,25,26,27)/b12-10-
InChIKeyOYMADNMNKFPVMX-BENRWUELSA-N
XLogP4.19
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-[6-methyl-2-[(Z)-2-pyridin-2-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine with MolForge

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Related Compounds

(1S,2R,4R)-2-methyl-1-N-[6-methyl-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]cyclohexane-1,4-diamine
CID 69241485
4-N-[6-methyl-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine
CID 69240334
N-[[4-(aminomethyl)phenyl]methyl]-6-methyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-amine
CID 69239625
trans-(1R,3R)-1-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexane-1,3-diamine
CID 69240298
2,2,2-trifluoro-N-[[4-[[6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-yl]amino]cyclohexyl]methyl]acetamide
CID 22667959
4-N-[6-methoxy-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine
CID 69241897
2-[2-[2-[[6-methyl-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]amino]ethoxy]ethyl]guanidine
CID 69021828
4-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]cyclohexane-1,4-diamine
CID 69238337
4-N-[2-[(Z)-2-(4-chlorophenyl)ethenyl]-6-propan-2-yloxyquinazolin-4-yl]cyclohexane-1,4-diamine;dihydrochloride
CID 69240579
cis-(1R,2S)-2-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexane-1,2-diamine
CID 69240715
2-[(1R,3R)-3-[[2-[2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]amino]cyclohexyl]guanidine;dihydrochloride
CID 69024255
4-N-(4-aminocyclohexyl)-2-N,2-N-dimethylquinazoline-2,4-diamine
CID 69014190

Frequently Asked Questions

What is the IUPAC name of 4-N-[6-methyl-2-[(Z)-2-pyridin-2-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[6-methyl-2-[(Z)-2-pyridin-2-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine (CID 69239806) is 4-N-[6-methyl-2-[(Z)-2-pyridin-2-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[6-methyl-2-[(Z)-2-pyridin-2-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[6-methyl-2-[(Z)-2-pyridin-2-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine is Cc1ccc2nc(/C=C\c3ccccn3)nc(NC3CCC(N)CC3)c2c1.
What is the InChIKey of 4-N-[6-methyl-2-[(Z)-2-pyridin-2-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine?
The InChIKey is OYMADNMNKFPVMX-BENRWUELSA-N. The full InChI is InChI=1S/C22H25N5/c1-15-5-11-20-19(14-15)22(25-18-8-6-16(23)7-9-18)27-21(26-20)12-10-17-4-2-3-13-24-17/h2-5,10-14,16,18H,6-9,23H2,1H3,(H,25,26,27)/b12-10-.
What are the key properties of 4-N-[6-methyl-2-[(Z)-2-pyridin-2-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine?
4-N-[6-methyl-2-[(Z)-2-pyridin-2-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine has a molecular weight of 359.48 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[6-methyl-2-[(Z)-2-pyridin-2-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 69239806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).