N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]cyclohexanecarboxamide

C24H30N6O — CID 141483005

IUPACN-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]cyclohexanecarboxamide
SMILESNc1nc(N)c2cc(NCc3ccc(CCNC(=O)C4CCCCC4)cc3)ccc2n1
InChIInChI=1S/C24H30N6O/c25-22-20-14-19(10-11-21(20)29-24(26)30-22)28-15-17-8-6-16(7-9-17)12-13-27-23(31)18-4-2-1-3-5-18/h6-11,14,18,28H,1-5,12-13,15H2,(H,27,31)(H4,25,26,29,30)
InChIKeyNOAJKGRXYGVMJO-UHFFFAOYSA-N
MW418.55 g/mol
LogP3.65
Rot. Bonds7

About N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]cyclohexanecarboxamide

N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]cyclohexanecarboxamide (PubChem CID 141483005) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]cyclohexanecarboxamide
PubChem CID141483005
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC NameN-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]cyclohexanecarboxamide
SMILESNc1nc(N)c2cc(NCc3ccc(CCNC(=O)C4CCCCC4)cc3)ccc2n1
InChIInChI=1S/C24H30N6O/c25-22-20-14-19(10-11-21(20)29-24(26)30-22)28-15-17-8-6-16(7-9-17)12-13-27-23(31)18-4-2-1-3-5-18/h6-11,14,18,28H,1-5,12-13,15H2,(H,27,31)(H4,25,26,29,30)
InChIKeyNOAJKGRXYGVMJO-UHFFFAOYSA-N
XLogP3.65
TPSA118.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 53.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]cyclohexanecarboxamide (CID 141483005) is N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]cyclohexanecarboxamide is Nc1nc(N)c2cc(NCc3ccc(CCNC(=O)C4CCCCC4)cc3)ccc2n1.
What is the InChIKey of N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]cyclohexanecarboxamide?
The InChIKey is NOAJKGRXYGVMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c25-22-20-14-19(10-11-21(20)29-24(26)30-22)28-15-17-8-6-16(7-9-17)12-13-27-23(31)18-4-2-1-3-5-18/h6-11,14,18,28H,1-5,12-13,15H2,(H,27,31)(H4,25,26,29,30).
What are the key properties of N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]cyclohexanecarboxamide?
N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]cyclohexanecarboxamide has a molecular weight of 418.55 g/mol, XLogP of 3.65, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 141483005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).