N-(3-aminopropyl)-N-(3-hydroxypropyl)-8-(4-methoxyphenyl)-4,5-dihydro-2H-pyrazolo[4,3-h]quinazoline-3-carboxamide

C23H28N6O3 — CID 123364681

IUPACN-(3-aminopropyl)-N-(3-hydroxypropyl)-8-(4-methoxyphenyl)-4,5-dihydro-2H-pyrazolo[4,3-h]quinazoline-3-carboxamide
SMILESCOc1ccc(-c2ncc3c(n2)-c2n[nH]c(C(=O)N(CCCN)CCCO)c2CC3)cc1
InChIInChI=1S/C23H28N6O3/c1-32-17-7-4-15(5-8-17)22-25-14-16-6-9-18-20(19(16)26-22)27-28-21(18)23(31)29(11-2-10-24)12-3-13-30/h4-5,7-8,14,30H,2-3,6,9-13,24H2,1H3,(H,27,28)
InChIKeyQXGVMXBLPVTPNL-UHFFFAOYSA-N
MW436.52 g/mol
LogP1.81
Rot. Bonds9

About N-(3-aminopropyl)-N-(3-hydroxypropyl)-8-(4-methoxyphenyl)-4,5-dihydro-2H-pyrazolo[4,3-h]quinazoline-3-carboxamide

N-(3-aminopropyl)-N-(3-hydroxypropyl)-8-(4-methoxyphenyl)-4,5-dihydro-2H-pyrazolo[4,3-h]quinazoline-3-carboxamide (PubChem CID 123364681) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(3-hydroxypropyl)-8-(4-methoxyphenyl)-4,5-dihydro-2H-pyrazolo[4,3-h]quinazoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(3-hydroxypropyl)-8-(4-methoxyphenyl)-4,5-dihydro-2H-pyrazolo[4,3-h]quinazoline-3-carboxamide
PubChem CID123364681
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC NameN-(3-aminopropyl)-N-(3-hydroxypropyl)-8-(4-methoxyphenyl)-4,5-dihydro-2H-pyrazolo[4,3-h]quinazoline-3-carboxamide
SMILESCOc1ccc(-c2ncc3c(n2)-c2n[nH]c(C(=O)N(CCCN)CCCO)c2CC3)cc1
InChIInChI=1S/C23H28N6O3/c1-32-17-7-4-15(5-8-17)22-25-14-16-6-9-18-20(19(16)26-22)27-28-21(18)23(31)29(11-2-10-24)12-3-13-30/h4-5,7-8,14,30H,2-3,6,9-13,24H2,1H3,(H,27,28)
InChIKeyQXGVMXBLPVTPNL-UHFFFAOYSA-N
XLogP1.81
TPSA130.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(3-hydroxypropyl)-8-(4-methoxyphenyl)-4,5-dihydro-2H-pyrazolo[4,3-h]quinazoline-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-(3-hydroxypropyl)-8-(4-methoxyphenyl)-4,5-dihydro-2H-pyrazolo[4,3-h]quinazoline-3-carboxamide (CID 123364681) is N-(3-aminopropyl)-N-(3-hydroxypropyl)-8-(4-methoxyphenyl)-4,5-dihydro-2H-pyrazolo[4,3-h]quinazoline-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(3-hydroxypropyl)-8-(4-methoxyphenyl)-4,5-dihydro-2H-pyrazolo[4,3-h]quinazoline-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-(3-hydroxypropyl)-8-(4-methoxyphenyl)-4,5-dihydro-2H-pyrazolo[4,3-h]quinazoline-3-carboxamide is COc1ccc(-c2ncc3c(n2)-c2n[nH]c(C(=O)N(CCCN)CCCO)c2CC3)cc1.
What is the InChIKey of N-(3-aminopropyl)-N-(3-hydroxypropyl)-8-(4-methoxyphenyl)-4,5-dihydro-2H-pyrazolo[4,3-h]quinazoline-3-carboxamide?
The InChIKey is QXGVMXBLPVTPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-32-17-7-4-15(5-8-17)22-25-14-16-6-9-18-20(19(16)26-22)27-28-21(18)23(31)29(11-2-10-24)12-3-13-30/h4-5,7-8,14,30H,2-3,6,9-13,24H2,1H3,(H,27,28).
What are the key properties of N-(3-aminopropyl)-N-(3-hydroxypropyl)-8-(4-methoxyphenyl)-4,5-dihydro-2H-pyrazolo[4,3-h]quinazoline-3-carboxamide?
N-(3-aminopropyl)-N-(3-hydroxypropyl)-8-(4-methoxyphenyl)-4,5-dihydro-2H-pyrazolo[4,3-h]quinazoline-3-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 1.81, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(3-hydroxypropyl)-8-(4-methoxyphenyl)-4,5-dihydro-2H-pyrazolo[4,3-h]quinazoline-3-carboxamide is sourced from PubChem (CID 123364681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).