4-N-[6-methoxy-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine

C22H25N5O — CID 69241897

IUPAC4-N-[6-methoxy-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine
SMILESCOc1ccc2nc(/C=C\c3cccnc3)nc(NC3CCC(N)CC3)c2c1
InChIInChI=1S/C22H25N5O/c1-28-18-9-10-20-19(13-18)22(25-17-7-5-16(23)6-8-17)27-21(26-20)11-4-15-3-2-12-24-14-15/h2-4,9-14,16-17H,5-8,23H2,1H3,(H,25,26,27)/b11-4-
InChIKeyCABCGCMTGODLRO-WCIBSUBMSA-N
MW375.48 g/mol
LogP3.89
Rot. Bonds5

About 4-N-[6-methoxy-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine

4-N-[6-methoxy-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine (PubChem CID 69241897) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 4-N-[6-methoxy-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[6-methoxy-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine
PubChem CID69241897
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name4-N-[6-methoxy-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine
SMILESCOc1ccc2nc(/C=C\c3cccnc3)nc(NC3CCC(N)CC3)c2c1
InChIInChI=1S/C22H25N5O/c1-28-18-9-10-20-19(13-18)22(25-17-7-5-16(23)6-8-17)27-21(26-20)11-4-15-3-2-12-24-14-15/h2-4,9-14,16-17H,5-8,23H2,1H3,(H,25,26,27)/b11-4-
InChIKeyCABCGCMTGODLRO-WCIBSUBMSA-N
XLogP3.89
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[6-methoxy-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[6-methoxy-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine (CID 69241897) is 4-N-[6-methoxy-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[6-methoxy-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[6-methoxy-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine is COc1ccc2nc(/C=C\c3cccnc3)nc(NC3CCC(N)CC3)c2c1.
What is the InChIKey of 4-N-[6-methoxy-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine?
The InChIKey is CABCGCMTGODLRO-WCIBSUBMSA-N. The full InChI is InChI=1S/C22H25N5O/c1-28-18-9-10-20-19(13-18)22(25-17-7-5-16(23)6-8-17)27-21(26-20)11-4-15-3-2-12-24-14-15/h2-4,9-14,16-17H,5-8,23H2,1H3,(H,25,26,27)/b11-4-.
What are the key properties of 4-N-[6-methoxy-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine?
4-N-[6-methoxy-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine has a molecular weight of 375.48 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[6-methoxy-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 69241897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).