N,N-bis(2-methoxyethyl)-4-(quinazolin-4-ylamino)butanamide

C18H26N4O3 — CID 110436988

IUPACN,N-bis(2-methoxyethyl)-4-(quinazolin-4-ylamino)butanamide
SMILESCOCCN(CCOC)C(=O)CCCNc1ncnc2ccccc12
InChIInChI=1S/C18H26N4O3/c1-24-12-10-22(11-13-25-2)17(23)8-5-9-19-18-15-6-3-4-7-16(15)20-14-21-18/h3-4,6-7,14H,5,8-13H2,1-2H3,(H,19,20,21)
InChIKeyXSYHDOKWWWZKSC-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.94
Rot. Bonds11

About N,N-bis(2-methoxyethyl)-4-(quinazolin-4-ylamino)butanamide

N,N-bis(2-methoxyethyl)-4-(quinazolin-4-ylamino)butanamide (PubChem CID 110436988) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-4-(quinazolin-4-ylamino)butanamide.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-4-(quinazolin-4-ylamino)butanamide
PubChem CID110436988
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN,N-bis(2-methoxyethyl)-4-(quinazolin-4-ylamino)butanamide
SMILESCOCCN(CCOC)C(=O)CCCNc1ncnc2ccccc12
InChIInChI=1S/C18H26N4O3/c1-24-12-10-22(11-13-25-2)17(23)8-5-9-19-18-15-6-3-4-7-16(15)20-14-21-18/h3-4,6-7,14H,5,8-13H2,1-2H3,(H,19,20,21)
InChIKeyXSYHDOKWWWZKSC-UHFFFAOYSA-N
XLogP1.94
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-4-(quinazolin-4-ylamino)butanamide
CID 110436139
N-butan-2-yl-4-(quinazolin-4-ylamino)butanamide
CID 110436131
N-(4-hydroxycyclohexyl)-4-(quinazolin-4-ylamino)butanamide
CID 110436172
N-tert-butyl-3-(quinazolin-4-ylamino)propanamide
CID 115609152
4-(4-methoxybutylamino)quinazoline-7-carboxylic acid
CID 63263517
N-(pyridin-2-ylmethyl)-4-(quinazolin-4-ylamino)butanamide
CID 110436147
N-(10-phenoxydecyl)quinazolin-4-amine
CID 20545322
N-(2-methoxyphenyl)-3-(quinazolin-4-ylamino)propanamide
CID 110437187
N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine
CID 12928811
N,N-bis(2-methoxyethyl)quinazolin-4-amine
CID 21104388
N-[8-(4-methylphenoxy)octyl]quinazolin-4-amine
CID 20545344
2-amino-1-phenyl-7-(quinazolin-4-ylamino)heptan-4-one
CID 158822658

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-4-(quinazolin-4-ylamino)butanamide?
The IUPAC name of N,N-bis(2-methoxyethyl)-4-(quinazolin-4-ylamino)butanamide (CID 110436988) is N,N-bis(2-methoxyethyl)-4-(quinazolin-4-ylamino)butanamide.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-4-(quinazolin-4-ylamino)butanamide?
The canonical SMILES for N,N-bis(2-methoxyethyl)-4-(quinazolin-4-ylamino)butanamide is COCCN(CCOC)C(=O)CCCNc1ncnc2ccccc12.
What is the InChIKey of N,N-bis(2-methoxyethyl)-4-(quinazolin-4-ylamino)butanamide?
The InChIKey is XSYHDOKWWWZKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-24-12-10-22(11-13-25-2)17(23)8-5-9-19-18-15-6-3-4-7-16(15)20-14-21-18/h3-4,6-7,14H,5,8-13H2,1-2H3,(H,19,20,21).
What are the key properties of N,N-bis(2-methoxyethyl)-4-(quinazolin-4-ylamino)butanamide?
N,N-bis(2-methoxyethyl)-4-(quinazolin-4-ylamino)butanamide has a molecular weight of 346.43 g/mol, XLogP of 1.94, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-4-(quinazolin-4-ylamino)butanamide is sourced from PubChem (CID 110436988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).