N'-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanediamide

C14H16N6O2 — CID 174298249

IUPACN'-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanediamide
SMILESCc1nc(N=C(N)NC(=O)CCC(N)=O)nc2ccccc12
InChIInChI=1S/C14H16N6O2/c1-8-9-4-2-3-5-10(9)18-14(17-8)20-13(16)19-12(22)7-6-11(15)21/h2-5H,6-7H2,1H3,(H2,15,21)(H3,16,17,18,19,20,22)
InChIKeyNPDDDBVPHWSHEE-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.27
Rot. Bonds4

About N'-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanediamide

N'-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanediamide (PubChem CID 174298249) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is N'-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanediamide.

Molecular Properties

Compound NameN'-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanediamide
PubChem CID174298249
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC NameN'-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanediamide
SMILESCc1nc(N=C(N)NC(=O)CCC(N)=O)nc2ccccc12
InChIInChI=1S/C14H16N6O2/c1-8-9-4-2-3-5-10(9)18-14(17-8)20-13(16)19-12(22)7-6-11(15)21/h2-5H,6-7H2,1H3,(H2,15,21)(H3,16,17,18,19,20,22)
InChIKeyNPDDDBVPHWSHEE-UHFFFAOYSA-N
XLogP0.27
TPSA136.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.27
H-Bond Donors ≤ 53
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

N-[(Z)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanamide
CID 135451367
N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanamide
CID 135506328
4-(dimethylamino)-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanamide
CID 170701640
N-[(Z)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide
CID 135543529
2-cyclopentyl-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide
CID 170701778
N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 135436000
1-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]-3-phenylurea
CID 135526918
1-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]-3-phenylurea
CID 135444510
2-chloro-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 174298473
N-[(E)-N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-2-phenylacetamide
CID 135447204
4-methoxy-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 174298479
4-cyano-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 170701612

Frequently Asked Questions

What is the IUPAC name of N'-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanediamide?
The IUPAC name of N'-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanediamide (CID 174298249) is N'-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanediamide.
What is the SMILES notation for N'-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanediamide?
The canonical SMILES for N'-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanediamide is Cc1nc(N=C(N)NC(=O)CCC(N)=O)nc2ccccc12.
What is the InChIKey of N'-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanediamide?
The InChIKey is NPDDDBVPHWSHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2/c1-8-9-4-2-3-5-10(9)18-14(17-8)20-13(16)19-12(22)7-6-11(15)21/h2-5H,6-7H2,1H3,(H2,15,21)(H3,16,17,18,19,20,22).
What are the key properties of N'-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanediamide?
N'-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanediamide has a molecular weight of 300.32 g/mol, XLogP of 0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanediamide is sourced from PubChem (CID 174298249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).