2-(4-methyl-7-morpholin-4-ylquinazolin-2-yl)guanidine

C14H18N6O — CID 155436329

IUPAC2-(4-methyl-7-morpholin-4-ylquinazolin-2-yl)guanidine
SMILESCc1nc(N=C(N)N)nc2cc(N3CCOCC3)ccc12
InChIInChI=1S/C14H18N6O/c1-9-11-3-2-10(20-4-6-21-7-5-20)8-12(11)18-14(17-9)19-13(15)16/h2-3,8H,4-7H2,1H3,(H4,15,16,17,18,19)
InChIKeyCFNKWCBFTAYPCA-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.68
Rot. Bonds2

About 2-(4-methyl-7-morpholin-4-ylquinazolin-2-yl)guanidine

2-(4-methyl-7-morpholin-4-ylquinazolin-2-yl)guanidine (PubChem CID 155436329) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-(4-methyl-7-morpholin-4-ylquinazolin-2-yl)guanidine.

Molecular Properties

Compound Name2-(4-methyl-7-morpholin-4-ylquinazolin-2-yl)guanidine
PubChem CID155436329
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name2-(4-methyl-7-morpholin-4-ylquinazolin-2-yl)guanidine
SMILESCc1nc(N=C(N)N)nc2cc(N3CCOCC3)ccc12
InChIInChI=1S/C14H18N6O/c1-9-11-3-2-10(20-4-6-21-7-5-20)8-12(11)18-14(17-9)19-13(15)16/h2-3,8H,4-7H2,1H3,(H4,15,16,17,18,19)
InChIKeyCFNKWCBFTAYPCA-UHFFFAOYSA-N
XLogP0.68
TPSA102.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(1-methylphthalazin-6-yl)morpholine
CID 175916256
N'-(4,6-dimethylpyrimidin-2-yl)morpholine-4-carboximidamide;hydrochloride
CID 126476570
4-(4-chlorocinnolin-7-yl)morpholine
CID 164929970
4-[2,3-bis(4-morpholin-4-ylphenyl)quinoxalin-6-yl]morpholine
CID 168665169
4-[4-[3-(3-methylphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine
CID 53467766
2-(4-methyl-3-morpholin-4-ylphenyl)guanidine
CID 68937461
6-morpholin-4-ylquinolin-2-amine
CID 25139674
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
1-methyl-7-morpholin-4-ylimidazo[1,5-a]pyridin-3-amine
CID 83895232
[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-pyrimidin-2-ylmethanol
CID 123428635
4-methoxy-6-morpholin-4-ylquinoline-2-carboxylic acid
CID 102942059
2-(2-methyl-4-morpholin-4-ylphenyl)propanamide
CID 142676470

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-7-morpholin-4-ylquinazolin-2-yl)guanidine?
The IUPAC name of 2-(4-methyl-7-morpholin-4-ylquinazolin-2-yl)guanidine (CID 155436329) is 2-(4-methyl-7-morpholin-4-ylquinazolin-2-yl)guanidine.
What is the SMILES notation for 2-(4-methyl-7-morpholin-4-ylquinazolin-2-yl)guanidine?
The canonical SMILES for 2-(4-methyl-7-morpholin-4-ylquinazolin-2-yl)guanidine is Cc1nc(N=C(N)N)nc2cc(N3CCOCC3)ccc12.
What is the InChIKey of 2-(4-methyl-7-morpholin-4-ylquinazolin-2-yl)guanidine?
The InChIKey is CFNKWCBFTAYPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-9-11-3-2-10(20-4-6-21-7-5-20)8-12(11)18-14(17-9)19-13(15)16/h2-3,8H,4-7H2,1H3,(H4,15,16,17,18,19).
What are the key properties of 2-(4-methyl-7-morpholin-4-ylquinazolin-2-yl)guanidine?
2-(4-methyl-7-morpholin-4-ylquinazolin-2-yl)guanidine has a molecular weight of 286.34 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-7-morpholin-4-ylquinazolin-2-yl)guanidine is sourced from PubChem (CID 155436329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).