4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide

C18H25N5O — CID 68850271

IUPAC4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide
SMILESCN(C)c1nc(NCC2CCC(C(N)=O)CC2)nc2ccccc12
InChIInChI=1S/C18H25N5O/c1-23(2)17-14-5-3-4-6-15(14)21-18(22-17)20-11-12-7-9-13(10-8-12)16(19)24/h3-6,12-13H,7-11H2,1-2H3,(H2,19,24)(H,20,21,22)
InChIKeyUAYOUIWFQWZLRD-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.40
Rot. Bonds5

About 4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide

4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide (PubChem CID 68850271) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide
PubChem CID68850271
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide
SMILESCN(C)c1nc(NCC2CCC(C(N)=O)CC2)nc2ccccc12
InChIInChI=1S/C18H25N5O/c1-23(2)17-14-5-3-4-6-15(14)21-18(22-17)20-11-12-7-9-13(10-8-12)16(19)24/h3-6,12-13H,7-11H2,1-2H3,(H2,19,24)(H,20,21,22)
InChIKeyUAYOUIWFQWZLRD-UHFFFAOYSA-N
XLogP2.40
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide (CID 68850271) is 4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide is CN(C)c1nc(NCC2CCC(C(N)=O)CC2)nc2ccccc12.
What is the InChIKey of 4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide?
The InChIKey is UAYOUIWFQWZLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-23(2)17-14-5-3-4-6-15(14)21-18(22-17)20-11-12-7-9-13(10-8-12)16(19)24/h3-6,12-13H,7-11H2,1-2H3,(H2,19,24)(H,20,21,22).
What are the key properties of 4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide?
4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 68850271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).