(4-methylpiperazin-1-yl)-[6-[2-(quinazolin-4-ylamino)ethyl]naphthalen-2-yl]methanone

C26H27N5O — CID 175723152

IUPAC(4-methylpiperazin-1-yl)-[6-[2-(quinazolin-4-ylamino)ethyl]naphthalen-2-yl]methanone
SMILESCN1CCN(C(=O)c2ccc3cc(CCNc4ncnc5ccccc45)ccc3c2)CC1
InChIInChI=1S/C26H27N5O/c1-30-12-14-31(15-13-30)26(32)22-9-8-20-16-19(6-7-21(20)17-22)10-11-27-25-23-4-2-3-5-24(23)28-18-29-25/h2-9,16-18H,10-15H2,1H3,(H,27,28,29)
InChIKeyNGWRQAOPOYLEED-UHFFFAOYSA-N
MW425.54 g/mol
LogP3.83
Rot. Bonds5

About (4-methylpiperazin-1-yl)-[6-[2-(quinazolin-4-ylamino)ethyl]naphthalen-2-yl]methanone

(4-methylpiperazin-1-yl)-[6-[2-(quinazolin-4-ylamino)ethyl]naphthalen-2-yl]methanone (PubChem CID 175723152) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[6-[2-(quinazolin-4-ylamino)ethyl]naphthalen-2-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[6-[2-(quinazolin-4-ylamino)ethyl]naphthalen-2-yl]methanone
PubChem CID175723152
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC Name(4-methylpiperazin-1-yl)-[6-[2-(quinazolin-4-ylamino)ethyl]naphthalen-2-yl]methanone
SMILESCN1CCN(C(=O)c2ccc3cc(CCNc4ncnc5ccccc45)ccc3c2)CC1
InChIInChI=1S/C26H27N5O/c1-30-12-14-31(15-13-30)26(32)22-9-8-20-16-19(6-7-21(20)17-22)10-11-27-25-23-4-2-3-5-24(23)28-18-29-25/h2-9,16-18H,10-15H2,1H3,(H,27,28,29)
InChIKeyNGWRQAOPOYLEED-UHFFFAOYSA-N
XLogP3.83
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-[2-[(6-iodoquinazolin-4-yl)amino]ethyl]naphthalen-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 162343380
4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]quinazoline-6-carbonitrile;dihydrochloride
CID 142770728
4-[2-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethylamino]quinazoline-6-carbonitrile
CID 71679494
[6-[2-(methylamino)ethyl]naphthalen-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 146407864
[6-[2-[(6-iodoquinolin-4-yl)amino]ethyl]naphthalen-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 164711582
4-[2-[6-(morpholine-4-carbonyl)naphthalen-2-yl]ethylamino]quinazoline-6-carbonitrile
CID 71679652
4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]-1,7-naphthyridine-6-carbonitrile
CID 151453562
4-[2-(quinazolin-4-ylamino)ethyl]phenol
CID 24742057
[6-[2-[(6-isocyano-1,8-naphthyridin-4-yl)amino]ethyl]naphthalen-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 164711599
N-[3-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55725492
N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine
CID 701177
[4-[6-[2-(4-hydroxyphenyl)ethylamino]-9-phenylpurin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 117081519

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[6-[2-(quinazolin-4-ylamino)ethyl]naphthalen-2-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[6-[2-(quinazolin-4-ylamino)ethyl]naphthalen-2-yl]methanone (CID 175723152) is (4-methylpiperazin-1-yl)-[6-[2-(quinazolin-4-ylamino)ethyl]naphthalen-2-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[6-[2-(quinazolin-4-ylamino)ethyl]naphthalen-2-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[6-[2-(quinazolin-4-ylamino)ethyl]naphthalen-2-yl]methanone is CN1CCN(C(=O)c2ccc3cc(CCNc4ncnc5ccccc45)ccc3c2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[6-[2-(quinazolin-4-ylamino)ethyl]naphthalen-2-yl]methanone?
The InChIKey is NGWRQAOPOYLEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c1-30-12-14-31(15-13-30)26(32)22-9-8-20-16-19(6-7-21(20)17-22)10-11-27-25-23-4-2-3-5-24(23)28-18-29-25/h2-9,16-18H,10-15H2,1H3,(H,27,28,29).
What are the key properties of (4-methylpiperazin-1-yl)-[6-[2-(quinazolin-4-ylamino)ethyl]naphthalen-2-yl]methanone?
(4-methylpiperazin-1-yl)-[6-[2-(quinazolin-4-ylamino)ethyl]naphthalen-2-yl]methanone has a molecular weight of 425.54 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[6-[2-(quinazolin-4-ylamino)ethyl]naphthalen-2-yl]methanone is sourced from PubChem (CID 175723152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).