cis-(1R,2S)-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2-methylcyclopropane-1-carboxamide

C24H23N5O2 — CID 169231672

IUPACcis-(1R,2S)-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2-methylcyclopropane-1-carboxamide
SMILESCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1NC(=O)[C@@H]1C[C@@H]1C
InChIInChI=1S/C24H23N5O2/c1-14-9-16(14)24(30)27-20-10-17-19(11-21(20)31-3)25-13-26-23(17)18-12-29(2)28-22(18)15-7-5-4-6-8-15/h4-8,10-14,16H,9H2,1-3H3,(H,27,30)/t14-,16+/m0/s1
InChIKeyQOVGZPNWMRTNBX-GOEBONIOSA-N
MW413.48 g/mol
LogP4.30
Rot. Bonds5

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

cis-(1R,2S)-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2-methylcyclopropane-1-carboxamide (PubChem CID 169231672) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is cis-(1R,2S)-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2-methylcyclopropane-1-carboxamide
PubChem CID169231672
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Namecis-(1R,2S)-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2-methylcyclopropane-1-carboxamide
SMILESCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1NC(=O)[C@@H]1C[C@@H]1C
InChIInChI=1S/C24H23N5O2/c1-14-9-16(14)24(30)27-20-10-17-19(11-21(20)31-3)25-13-26-23(17)18-12-29(2)28-22(18)15-7-5-4-6-8-15/h4-8,10-14,16H,9H2,1-3H3,(H,27,30)/t14-,16+/m0/s1
InChIKeyQOVGZPNWMRTNBX-GOEBONIOSA-N
XLogP4.30
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2-methylcyclopropane-1-carboxamide (CID 169231672) is cis-(1R,2S)-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2-methylcyclopropane-1-carboxamide is COc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1NC(=O)[C@@H]1C[C@@H]1C.
What is the InChIKey of cis-(1R,2S)-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is QOVGZPNWMRTNBX-GOEBONIOSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-14-9-16(14)24(30)27-20-10-17-19(11-21(20)31-3)25-13-26-23(17)18-12-29(2)28-22(18)15-7-5-4-6-8-15/h4-8,10-14,16H,9H2,1-3H3,(H,27,30)/t14-,16+/m0/s1.
What are the key properties of cis-(1R,2S)-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2-methylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 169231672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).