N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-oxoquinazolin-3-yl)propanamide

C20H29N5O2 — CID 55656687

IUPACN-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCN1CCN(CCCCNC(=O)CCn2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C20H29N5O2/c1-23-12-14-24(15-13-23)10-5-4-9-21-19(26)8-11-25-16-22-18-7-3-2-6-17(18)20(25)27/h2-3,6-7,16H,4-5,8-15H2,1H3,(H,21,26)
InChIKeyKFYVHNKIRPDBTR-UHFFFAOYSA-N
MW371.49 g/mol
LogP0.93
Rot. Bonds8

About N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-oxoquinazolin-3-yl)propanamide

N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 55656687) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID55656687
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC NameN-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCN1CCN(CCCCNC(=O)CCn2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C20H29N5O2/c1-23-12-14-24(15-13-23)10-5-4-9-21-19(26)8-11-25-16-22-18-7-3-2-6-17(18)20(25)27/h2-3,6-7,16H,4-5,8-15H2,1H3,(H,21,26)
InChIKeyKFYVHNKIRPDBTR-UHFFFAOYSA-N
XLogP0.93
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 50.93
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-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride
CID 119502460
N-nonyl-4-(4-oxoquinazolin-3-yl)butanamide
CID 43052254
N-[3-(2-methoxyethoxy)propyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 134041947
N-(3-methoxypropyl)-2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]acetamide
CID 55462485
2-(4-oxoquinazolin-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 46427247
N-but-3-ynyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 90537872
3-(4-oxoquinazolin-3-yl)-N-[3-(1-phenylethoxy)propyl]propanamide
CID 46557320
N-[3-(4-benzylpiperazin-1-yl)propyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 55634142
N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 91818526
3-(4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 26835386
N-[(4-chlorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 1301490
3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
CID 39303958

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-oxoquinazolin-3-yl)propanamide (CID 55656687) is N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-oxoquinazolin-3-yl)propanamide is CN1CCN(CCCCNC(=O)CCn2cnc3ccccc3c2=O)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is KFYVHNKIRPDBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-23-12-14-24(15-13-23)10-5-4-9-21-19(26)8-11-25-16-22-18-7-3-2-6-17(18)20(25)27/h2-3,6-7,16H,4-5,8-15H2,1H3,(H,21,26).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-oxoquinazolin-3-yl)propanamide?
N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 371.49 g/mol, XLogP of 0.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 55656687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).