N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide

C19H21N5O2 — CID 136663690

IUPACN-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
SMILESO=C(CCc1n[nH]c2c1CCCC2)NCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H21N5O2/c25-18(10-9-16-12-5-1-4-8-15(12)23-24-16)20-11-17-21-14-7-3-2-6-13(14)19(26)22-17/h2-3,6-7H,1,4-5,8-11H2,(H,20,25)(H,23,24)(H,21,22,26)
InChIKeyUDVPOYSHFYWOGD-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.77
Rot. Bonds5

About N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide

N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide (PubChem CID 136663690) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
PubChem CID136663690
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
SMILESO=C(CCc1n[nH]c2c1CCCC2)NCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H21N5O2/c25-18(10-9-16-12-5-1-4-8-15(12)23-24-16)20-11-17-21-14-7-3-2-6-13(14)19(26)22-17/h2-3,6-7H,1,4-5,8-11H2,(H,20,25)(H,23,24)(H,21,22,26)
InChIKeyUDVPOYSHFYWOGD-UHFFFAOYSA-N
XLogP1.77
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide with MolForge

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Related Compounds

N-(2-phenylsulfanylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 74240719
N,N-dimethyl-4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]benzamide
CID 137300676
3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide
CID 135636453
3-(4-oxo-3H-quinazolin-2-yl)-N-prop-2-ynylpropanamide
CID 135687166
N-[2-(2-fluorophenoxy)ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 74249074
4-hydroxy-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide
CID 135767696
N-[(3-fluorophenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137292595
N-[4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide
CID 167947829
3-(4-oxo-3H-quinazolin-2-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propanamide
CID 135639778
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135637123
N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-(1H-pyrazol-4-yl)propanamide
CID 137210262
4-(4-oxo-3H-quinazolin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 137285634

Frequently Asked Questions

What is the IUPAC name of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The IUPAC name of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide (CID 136663690) is N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide.
What is the SMILES notation for N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The canonical SMILES for N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide is O=C(CCc1n[nH]c2c1CCCC2)NCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The InChIKey is UDVPOYSHFYWOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c25-18(10-9-16-12-5-1-4-8-15(12)23-24-16)20-11-17-21-14-7-3-2-6-13(14)19(26)22-17/h2-3,6-7H,1,4-5,8-11H2,(H,20,25)(H,23,24)(H,21,22,26).
What are the key properties of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide has a molecular weight of 351.41 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide is sourced from PubChem (CID 136663690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).