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

C22H25N5 — CID 69240334

IUPAC4-N-[6-methyl-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine
SMILESCc1ccc2nc(/C=C/c3cccnc3)nc(NC3CCC(N)CC3)c2c1
InChIInChI=1S/C22H25N5/c1-15-4-10-20-19(13-15)22(25-18-8-6-17(23)7-9-18)27-21(26-20)11-5-16-3-2-12-24-14-16/h2-5,10-14,17-18H,6-9,23H2,1H3,(H,25,26,27)/b11-5+
InChIKeyNUZDQHOFFQQINS-VZUCSPMQSA-N
MW359.48 g/mol
LogP4.19
Rot. Bonds4

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

4-N-[6-methyl-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine (PubChem CID 69240334) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is 4-N-[6-methyl-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[6-methyl-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine
PubChem CID69240334
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC Name4-N-[6-methyl-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine
SMILESCc1ccc2nc(/C=C/c3cccnc3)nc(NC3CCC(N)CC3)c2c1
InChIInChI=1S/C22H25N5/c1-15-4-10-20-19(13-15)22(25-18-8-6-17(23)7-9-18)27-21(26-20)11-5-16-3-2-12-24-14-16/h2-5,10-14,17-18H,6-9,23H2,1H3,(H,25,26,27)/b11-5+
InChIKeyNUZDQHOFFQQINS-VZUCSPMQSA-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

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Frequently Asked Questions

What is the IUPAC name of 4-N-[6-methyl-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[6-methyl-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine (CID 69240334) is 4-N-[6-methyl-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[6-methyl-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[6-methyl-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine is Cc1ccc2nc(/C=C/c3cccnc3)nc(NC3CCC(N)CC3)c2c1.
What is the InChIKey of 4-N-[6-methyl-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine?
The InChIKey is NUZDQHOFFQQINS-VZUCSPMQSA-N. The full InChI is InChI=1S/C22H25N5/c1-15-4-10-20-19(13-15)22(25-18-8-6-17(23)7-9-18)27-21(26-20)11-5-16-3-2-12-24-14-16/h2-5,10-14,17-18H,6-9,23H2,1H3,(H,25,26,27)/b11-5+.
What are the key properties of 4-N-[6-methyl-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine?
4-N-[6-methyl-2-[(E)-2-pyridin-3-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-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 69240334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).