N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-N,2-dimethylpiperazine-1-carboxamide

C26H29N7O2 — CID 169231731

IUPACN-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-N,2-dimethylpiperazine-1-carboxamide
SMILESCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1N(C)C(=O)N1CCNCC1C
InChIInChI=1S/C26H29N7O2/c1-17-14-27-10-11-33(17)26(34)32(3)22-12-19-21(13-23(22)35-4)28-16-29-25(19)20-15-31(2)30-24(20)18-8-6-5-7-9-18/h5-9,12-13,15-17,27H,10-11,14H2,1-4H3
InChIKeyPXPCNZMIZRLWIF-UHFFFAOYSA-N
MW471.57 g/mol
LogP3.56
Rot. Bonds4

About N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-N,2-dimethylpiperazine-1-carboxamide

N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-N,2-dimethylpiperazine-1-carboxamide (PubChem CID 169231731) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-N,2-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-N,2-dimethylpiperazine-1-carboxamide
PubChem CID169231731
Molecular FormulaC26H29N7O2
Molecular Weight471.57 g/mol
Exact Mass471.24
IUPAC NameN-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-N,2-dimethylpiperazine-1-carboxamide
SMILESCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1N(C)C(=O)N1CCNCC1C
InChIInChI=1S/C26H29N7O2/c1-17-14-27-10-11-33(17)26(34)32(3)22-12-19-21(13-23(22)35-4)28-16-29-25(19)20-15-31(2)30-24(20)18-8-6-5-7-9-18/h5-9,12-13,15-17,27H,10-11,14H2,1-4H3
InChIKeyPXPCNZMIZRLWIF-UHFFFAOYSA-N
XLogP3.56
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-N,2-dimethylpiperazine-1-carboxamide?
The IUPAC name of N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-N,2-dimethylpiperazine-1-carboxamide (CID 169231731) is N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-N,2-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-N,2-dimethylpiperazine-1-carboxamide?
The canonical SMILES for N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-N,2-dimethylpiperazine-1-carboxamide is COc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1N(C)C(=O)N1CCNCC1C.
What is the InChIKey of N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-N,2-dimethylpiperazine-1-carboxamide?
The InChIKey is PXPCNZMIZRLWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-17-14-27-10-11-33(17)26(34)32(3)22-12-19-21(13-23(22)35-4)28-16-29-25(19)20-15-31(2)30-24(20)18-8-6-5-7-9-18/h5-9,12-13,15-17,27H,10-11,14H2,1-4H3.
What are the key properties of N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-N,2-dimethylpiperazine-1-carboxamide?
N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-N,2-dimethylpiperazine-1-carboxamide has a molecular weight of 471.57 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-N,2-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 169231731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).